4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

HCID 2737093

기본 정보

CAS
115931-11-8
표준 SMILES
NC(=O)c1cnn2c1NCC=C2c1cccc(C(F)(F)F)c1
InChIKey
KZFGNDBDCDFDSL-UHFFFAOYSA-N
분자식
C14H11F3N4O
평균 분자량
308.26 g/mol

이름 및 식별자

우선 이름
4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC
7-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
영어명
4,5-DIHYDRO-7-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
분자식
C14H11F3N4O
분자량
308.26

이름 및 동의어

115931-11-84,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide7-(3-(Trifluoromethyl)phenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide7-[3-(Trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamideMFCD002766034,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo-[1,5-a]pyrimidine-3-carboxamideUUKMJUDIKVGGBQ-UHFFFAOYSA-NMaybridge3_0059877-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamideSCHEMBL8337425DTXSID30420676HMS1448A03
이름 더 보기
4,5-Dihydro-7-[3-(trifluromrthyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide97%4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 97%
CCG-47526AKOS015852773IDI1_017374Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5-dihydro-7-[3-(trifluoromethyl)phenyl]-DB-004593CS-0451941F008294SR-01000637133-1

데이터베이스 식별자

CAS
115931-11-8
PubChem CID
2737093
DTXSID
DTXSID30420676

물성

구조 계산 물성

XLogP
2
극성 표면적
72.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
22

물리화학적 성질

녹는점
157 · 157-160 °C
끓는 점
416.2 · 416.2±45.0 °C(Predicted)
밀도
1.53 · 1.53±0.1 g/cm3(Predicted)
산도 계수 (pKa)
15.1 · 15.10±0.40(Predicted)

안전 및 규제

안전 데이터

HS 번호
2933998090
hazard_code
Xi
위험 참고 사항
Irritant

화학 및 산업

공급사9 곳

宁波振岳医药科技有限公司19817745290 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]

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