Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate

HCID 23005696CAS 50920-48-4

기본 정보

표준 SMILES: CCOC(=O)c1cc(C)n(C(C)C)n1
InChIKey: XOJOQIUVANMZEP-UHFFFAOYSA-N
분자식: C10H16N2O2
평균 분자량: 196.25 g/mol

이름 및 식별자

우선 이름: Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate
IUPAC: ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylate

이름 및 동의어

50920-48-4ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylateRefChem:593333959-418-5ethyl 5-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylateMFCD08700679ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylateF2145-1028SCHEMBL9941672XOJOQIUVANMZEP-UHFFFAOYSA-NALBB-032329AKOS003673207

이름 더 보기

LS-11960SY304411DB-400943EN300-239736H46277ethyl 1-isopropyl-5-methyl-pyrazole-3-carboxylateF495450ethyl1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate

데이터베이스 식별자

CAS: 50920-48-4
PubChem CID: 23005696
EC Number: 959-418-5

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 206

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.