[4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone

C22H23N3O — CID 54754223

IUPAC[4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone
SMILESCCc1c(Nc2ccccc2)c(C(=O)C2CC2)nn1-c1ccccc1C
InChIInChI=1S/C22H23N3O/c1-3-18-20(23-17-10-5-4-6-11-17)21(22(26)16-13-14-16)24-25(18)19-12-8-7-9-15(19)2/h4-12,16,23H,3,13-14H2,1-2H3
InChIKeyUEHPHONOWDIEOI-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.08
Rot. Bonds6

About [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone

[4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone (PubChem CID 54754223) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone
PubChem CID54754223
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone
SMILESCCc1c(Nc2ccccc2)c(C(=O)C2CC2)nn1-c1ccccc1C
InChIInChI=1S/C22H23N3O/c1-3-18-20(23-17-10-5-4-6-11-17)21(22(26)16-13-14-16)24-25(18)19-12-8-7-9-15(19)2/h4-12,16,23H,3,13-14H2,1-2H3
InChIKeyUEHPHONOWDIEOI-UHFFFAOYSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270
5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61295669
[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42818288
4-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229458
5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
CID 42818413
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113801
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014

Frequently Asked Questions

What is the IUPAC name of [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone?
The IUPAC name of [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone (CID 54754223) is [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone?
The canonical SMILES for [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone is CCc1c(Nc2ccccc2)c(C(=O)C2CC2)nn1-c1ccccc1C.
What is the InChIKey of [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone?
The InChIKey is UEHPHONOWDIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-18-20(23-17-10-5-4-6-11-17)21(22(26)16-13-14-16)24-25(18)19-12-8-7-9-15(19)2/h4-12,16,23H,3,13-14H2,1-2H3.
What are the key properties of [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone?
[4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone has a molecular weight of 345.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-anilino-5-ethyl-1-(2-methylphenyl)pyrazol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 54754223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).