6-Amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
기본 정보
- CAS
300731-92-4- 표준 SMILES
COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1Cn1cc([N+](=O)[O-])cn1- InChIKey
KGIPMWXGSUZMAL-UHFFFAOYSA-N- 분자식
- C24H19N7O4
- 평균 분자량
- 469.5 g/mol
이름 및 식별자
- 우선 이름
- 6-Amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 영어명
- 6-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 분자식
- C24H19N7O4
- 분자량
- 469.45
이름 및 동의어
6-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileOprea1_098064Oprea1_377570STK833109AKOS003679872AKOS003998314300731-92-4ST006779AK-968/11841058
이름 더 보기
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-2,4-dihydro-4-[4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-3-phenyl-
6-AMINO-4-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-3-PHENYL-1,4-DIHYDROPYRANO[2,3-C]PYRAZOL-5-YL CYANIDE6-amino-4-{4-methoxy-3-[(4-nitropyrazolyl)methyl]phenyl}-3-phenyl-4H-pyrano[3, 2-d]pyrazole-5-carbonitrile
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 864
물리화학적 성질
- 끓는 점
- 790.7 · 790.7±60.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.83 · 10.83±0.70(Predicted)
관련 반응
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