5-아미노-1-페닐피라졸-4-카르복사미드

5-Amino-1-phenyl-4-pyrazolecarboxamide

HCID 1802CAS 50427-77-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1cnn(-c2ccccc2)c1N
InChIKey: UBKSUPKIDNXMMC-UHFFFAOYSA-N
분자식: C10H10N4O
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.08546094

이름 및 식별자

우선 이름: 5-Amino-1-phenyl-4-pyrazolecarboxamide
IUPAC: 5-amino-1-phenylpyrazole-4-carboxamide
현지명: 5-아미노-1-페닐피라졸-4-카르복사미드
영어명: 5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXAMIDE
분자식: C10H10N4O
분자량: 202.21

이름 및 동의어

5-Amino-1-phenyl-4-pyrazolecarboxamideRefChem:532049637-132-95-Amino-1-phenyl-1H-pyrazole-4-carboxamide50427-77-55-Amino-1-phenylpyrazole-4-carboxamideMFCD00020732CHEMBL4544218F0863-0552NSC505665-amino-1-phenyl-pyrazole-4-carboxamideMaybridge1_000861

이름 더 보기

5-아미노-1-페닐피라졸-4-카르복사미드NSC 50566NSC 11602TIMTEC-BB SBB0058835-azanyl-1-phenyl-pyrazole-4-carboxamide5-amino-1-phenyl-1,4-pyrazolecarboxamide5-Amino-4-carbamoyl-1-phenyl-1H-pyrazole, 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole

ChemDiv2_0008051H-Pyrazole-4-carboxamide, 5-amino-1-phenyl-5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid amideSCHEMBL2743084HMS543P03DTXSID90274334HMS1371E13SMSSF-0061763

데이터베이스 식별자

CAS: 50427-77-5
PubChem CID: 1802
DTXSID: DTXSID90274334
ChEMBL: CHEMBL4544218
EC Number: 637-132-9
Nikkaji: J1.643.249K

물성

구조 계산 물성

XLogP: 1
극성 표면적: 86.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 240

물리화학적 성질

녹는점: 169 · 169-172
끓는 점: 423.7 · 423.7±25.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 15.05 · 15.05±0.50(Predicted)
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15)
InChIKey: UBKSUPKIDNXMMC-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C(N)=C(C(N)=O)C=N1
NIST: 5 · 5-Amino-1-phenylpyrazole-4-carboxamide(50427-77-5)

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933199090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도5-AMino-1-phenylpyrazole-4-carboxamide is used as a heterocyclic scaffold.

상·하류 제품 정보

상류 원료

5-아미노-4-카르베톡시-1-페닐피라졸 5-아미노-1-페닐피라졸-4-카보니트릴 황산 페닐히드라진

하류 제품

4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-(chloromethyl)-1,5-dihydro-1-phenyl-5-(아세틸아미노)-1-페닐-1H-피라졸-4-카르복실산

공급사36 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

연결된 노트

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