[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazol-3-yl}methanone
기본 정보
- CAS
1005628-25-0- 표준 SMILES
O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)N1N=C(C(F)F)CC1(O)C(F)F- InChIKey
ADLITXSKTFARDE-UHFFFAOYSA-N- 분자식
- C16H12ClF5N4O3
- 평균 분자량
- 438.73 g/mol
- 단동위원소 질량
- 438.0518088
이름 및 식별자
- 우선 이름
- [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazol-3-yl}methanone
- IUPAC
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[1-[(3-chloro-4-fluorophenoxy)methyl]pyrazol-3-yl]methanone
이름 및 동의어
1005628-25-0[3,5-Bis(difluoromethyl)-4,5-dihydro-5-hydroxy-1H-pyrazol-1-yl][1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazol-3-yl]methanone[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[1-[(3-chloro-4-fluorophenoxy)methyl]pyrazol-3-yl]methanone1-({1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazol-3-yl}carbonyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazol-3-yl}methanoneDTXSID901103438STK310080AKOS003988614
데이터베이스 식별자
- CAS
1005628-25-0- PubChem CID
- 17022624
- DTXSID
DTXSID901103438
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 80 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 646
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