[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C18H21N3O — CID 110372651

IUPAC[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-n2nc(C(=O)N3CCCC3)cc2C2CC2)c1
InChIInChI=1S/C18H21N3O/c1-13-5-4-6-15(11-13)21-17(14-7-8-14)12-16(19-21)18(22)20-9-2-3-10-20/h4-6,11-12,14H,2-3,7-10H2,1H3
InChIKeyANGQLZUFJLPIGV-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.29
Rot. Bonds3

About [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110372651) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID110372651
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-n2nc(C(=O)N3CCCC3)cc2C2CC2)c1
InChIInChI=1S/C18H21N3O/c1-13-5-4-6-15(11-13)21-17(14-7-8-14)12-16(19-21)18(22)20-9-2-3-10-20/h4-6,11-12,14H,2-3,7-10H2,1H3
InChIKeyANGQLZUFJLPIGV-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 110372660
[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 82188845
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
5-cyclopropyl-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 110372664
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
N-cyclopentyl-5-cyclopropyl-1-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 110372725
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 110372651) is [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(-n2nc(C(=O)N3CCCC3)cc2C2CC2)c1.
What is the InChIKey of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ANGQLZUFJLPIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-4-6-15(11-13)21-17(14-7-8-14)12-16(19-21)18(22)20-9-2-3-10-20/h4-6,11-12,14H,2-3,7-10H2,1H3.
What are the key properties of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110372651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).