기본 정보
- CAS
370872-26-7- 표준 SMILES
COc1ccc(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C- InChIKey
QQMUWENQYHHSEE-UHFFFAOYSA-N- 분자식
- C27H25N7O4
- 평균 분자량
- 511.5 g/mol
이름 및 식별자
- 우선 이름
- 6-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
- 영어명
- 6-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 분자식
- C27H25N7O4
- 분자량
- 511.53
이름 및 동의어
370872-26-76-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrileSMR0001461356-amino-4-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-Amino-4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-ylmethyl)-4-methoxy-phenyl]-3-methyl-1-phenyl-1,4-dihydro -pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileMLS000552620MLS002581182CHEMBL1586948HMS2286L21STL320777AKOS004005744
이름 더 보기
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-1,4-dihydro-3-methyl-1-phenyl-
6-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileAK-968/371290196-AMINO-4-{3-[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]-4-METHOXYPHENYL}-3-METHYL-1-PHENYL-1,4-DIHYDROPYRANO[2,3-C]PYRAZOL-5-YL CYANIDE
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 957
물리화학적 성질
- 끓는 점
- 739.2 · 739.2±60.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.75 · 2.75±0.40(Predicted)
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