7-[3-(트리플루오로메틸)페닐]피라졸로[1,5-A]피리미딘-3-카르복사미드

7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

HCID 2777692CAS 115930-92-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIKey: NISNJNISVXZUQS-UHFFFAOYSA-N
분자식: C14H9F3N4O
평균 분자량: 306.24 g/mol
단동위원소 질량: 306.07284557

이름 및 식별자

우선 이름: 7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC: 7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
현지명: 7-[3-(트리플루오로메틸)페닐]피라졸로[1,5-A]피리미딘-3-카르복사미드
영어명: 7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
분자식: C14H9F3N4O
분자량: 306.24

이름 및 동의어

115930-92-27-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide7-(3-(Trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamideMFCD002766067-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]-pyrimidine-3-carboxamideMaybridge3_006293MLS000861940SCHEMBL8435070CHEMBL1383028DTXSID30380620HMS1448O01HMS2811L18

이름 더 보기

7-[3-(트리플루오로메틸)페닐]피라졸로[1,5-A]피리미딘-3-카르복사미드7-[3-(trifluoromethyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamidePyrazolo[1,5-a]pyrimidine-3-carboxamide, 7-[3-(trifluoromethyl)phenyl]-7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide97%7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 97%

AKOS015912409CCG-245133IDI1_017680SMR000460724DB-041293CS-0441444ST51041643F008445

데이터베이스 식별자

CAS: 115930-92-2
PubChem CID: 2777692
DTXSID: DTXSID30380620
ChEMBL: CHEMBL1383028
EC Number: 670-988-1

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 73.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 431

실험 및 물리화학적 성질

Solubility7.5 [ug/mL] (The mean of the results at pH 7.4)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.