[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C22H22ClN3O — CID 55552266

IUPAC[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16-8-10-17(11-9-16)21-7-4-12-26(21)22(27)19-13-24-25(15-19)14-18-5-2-3-6-20(18)23/h2-3,5-6,8-11,13,15,21H,4,7,12,14H2,1H3
InChIKeyLWLUKURRCLLZCT-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.87
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 55552266) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID55552266
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16-8-10-17(11-9-16)21-7-4-12-26(21)22(27)19-13-24-25(15-19)14-18-5-2-3-6-20(18)23/h2-3,5-6,8-11,13,15,21H,4,7,12,14H2,1H3
InChIKeyLWLUKURRCLLZCT-UHFFFAOYSA-N
XLogP4.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone
CID 94486996
ethyl 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidine-3-carboxylate
CID 42924083
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
[3-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119596054
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55901774
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156929
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878291
(1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24653748
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 55552266) is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is LWLUKURRCLLZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-8-10-17(11-9-16)21-7-4-12-26(21)22(27)19-13-24-25(15-19)14-18-5-2-3-6-20(18)23/h2-3,5-6,8-11,13,15,21H,4,7,12,14H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 379.89 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55552266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).