[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone

C18H21N3O — CID 36993627

IUPAC[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1-n1ncc(C(=O)N2CCCC2)c1C1CC1
InChIInChI=1S/C18H21N3O/c1-13-6-2-3-7-16(13)21-17(14-8-9-14)15(12-19-21)18(22)20-10-4-5-11-20/h2-3,6-7,12,14H,4-5,8-11H2,1H3
InChIKeyVLFFAYQQEKWOCS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.29
Rot. Bonds3

About [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone

[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 36993627) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID36993627
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1-n1ncc(C(=O)N2CCCC2)c1C1CC1
InChIInChI=1S/C18H21N3O/c1-13-6-2-3-7-16(13)21-17(14-8-9-14)15(12-19-21)18(22)20-10-4-5-11-20/h2-3,6-7,12,14H,4-5,8-11H2,1H3
InChIKeyVLFFAYQQEKWOCS-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-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
azocan-1-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55604786
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
[1-(2-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146053322
1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
CID 82361375
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37022037
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone (CID 36993627) is [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1-n1ncc(C(=O)N2CCCC2)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VLFFAYQQEKWOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-2-3-7-16(13)21-17(14-8-9-14)15(12-19-21)18(22)20-10-4-5-11-20/h2-3,6-7,12,14H,4-5,8-11H2,1H3.
What are the key properties of [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-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-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 36993627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).