1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone

C9H12N2O — CID 83873172

IUPAC1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C9H12N2O/c1-6(12)8-5-11(2)10-9(8)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyZFTSOJWCBDCOJJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.50
Rot. Bonds2

About 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone

1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone (PubChem CID 83873172) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
PubChem CID83873172
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C9H12N2O/c1-6(12)8-5-11(2)10-9(8)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyZFTSOJWCBDCOJJ-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-ethyl-1-methylpyrazole
CID 126759747
3-cyclopropyl-1-methylpyrazol-4-ol
CID 138715420
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
3-cyclopropyl-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 59607144
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
(3-cyclohexyl-1-methylpyrazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292675
3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 138005316
3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 129347326
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 83826856
methyl 3-(3-cyclopropyl-1-methylpyrazol-4-yl)prop-2-ynoate
CID 66509576
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone (CID 83873172) is 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone is CC(=O)c1cn(C)nc1C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone?
The InChIKey is ZFTSOJWCBDCOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(12)8-5-11(2)10-9(8)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone?
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 83873172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).