기본 정보
- CAS
489449-25-4- 표준 SMILES
Cc1c(CNC(=O)c2nn3c(c2Cl)NC(c2cccs2)CC3C(F)(F)F)cnn1C- InChIKey
QMJZPPZJLIRXPU-UHFFFAOYSA-N- 분자식
- C18H18ClF3N6OS
- 평균 분자량
- 458.9 g/mol
- 단동위원소 질량
- 458.0903426
이름 및 식별자
- 우선 이름
- 3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C18H18ClF3N6OS
- 분자량
- 458.8883296
이름 및 동의어
3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-N-((1,5-dimethyl-1H-pyrazol-4-yl)methyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-CHLORO-N-[(1,5-DIMETHYLPYRAZOL-4-YL)METHYL]-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDESTL405600AKOS000561923AKOS022005433CCG-116025ST45160134ST50014621AK-968/153593123-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
이름 더 보기
489449-25-4
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 646
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