CAS 1350475-31-8 ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate (HCID 71306158)

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Basic information

CAS: 1350475-31-8
Standard SMILES: CCOC(=O)c1cc(C(C)=O)nn1C
InChIKey: FQKCNTHLJQQWTA-UHFFFAOYSA-N
Molecular formula: C9H12N2O3
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.08479225

Names & identifiers

Preferred name: ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate
IUPAC: ethyl 3-acetyl-1-methylpyrazole-5-carboxylate
English name: ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate
Molecular formula: C9H12N2O3
Molecular weight: 196.2

Names & synonyms

1350475-31-8ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate5-ACETYL-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTEREthyl 5-acetyl-2-methylpyrazole-3-carboxylateMFCD213623521H-Pyrazole-5-carboxylic acid, 3-acetyl-1-methyl-, ethyl esterSCHEMBL13279000FQKCNTHLJQQWTA-UHFFFAOYSA-NDTXSID301179716AKOS027255500AS-70842DA-34130

Show more names

SY126002CS-0316522ethyl 5-acetyl-2-methyl-pyrazole-3-carboxylateW10362ethyl3-acetyl-1-methyl-1H-pyrazole-5-carboxylateF7217775-Acetyl-2-Methyl-2H-Pyrazole-3-Carboxylic Acid Ethyl Ester(WX626066)

Database identifiers

CAS: 1350475-31-8
PubChem CID: 71306158
DTXSID: DTXSID301179716

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 61.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 242

Physicochemical properties

Boiling point: 339.4 · 339.4±27.0 °C(Predicted)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -1.96 · -1.96±0.10(Predicted)
Appearance: White to off-white Solid

Chemistry & industry

Suppliers20 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

台州南峰药物研究所[email protected] 18616377689 · [email protected]

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

Related reactions

2 records

New reaction record

HRID 715920As productuspto-grants-2015_11

HRID 925409As productuspto-grants-2016_03

Compound notes

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