2-[4-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-1-piperazinyl]-4-thiazolecarboxylic acid

HCID 67151088

기본 정보

표준 SMILES
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(=O)O)cs2)CC1
InChIKey
JDVPUJHPWZGOKG-UHFFFAOYSA-N
분자식
C15H16F3N5O3S
평균 분자량
403.4 g/mol

이름 및 식별자

우선 이름
2-[4-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-1-piperazinyl]-4-thiazolecarboxylic acid
IUPAC
2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid

이름 및 동의어

2-[4-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-1-piperazinyl]-4-thiazolecarboxylic acidSCHEMBL17585442-(4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperazin-1-yl)-1,3-thiazole-4-carboxylic acid2-[4-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-1-piperazin yl]-4-thiazolecarboxylic acid

데이터베이스 식별자

PubChem CID
67151088

물성

구조 계산 물성

XLogP
2
극성 표면적
120 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
27

관련 반응

6건

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