[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C18H22ClN5O — CID 120996323

IUPAC[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H22ClN5O/c19-15-1-3-16(4-2-15)24-12-14(11-21-24)18(25)23-8-5-17(13-23)22-9-6-20-7-10-22/h1-4,11-12,17,20H,5-10,13H2
InChIKeyJAFBMEJOYGONBI-UHFFFAOYSA-N
MW359.86 g/mol
LogP1.65
Rot. Bonds3

About [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120996323) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120996323
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H22ClN5O/c19-15-1-3-16(4-2-15)24-12-14(11-21-24)18(25)23-8-5-17(13-23)22-9-6-20-7-10-22/h1-4,11-12,17,20H,5-10,13H2
InChIKeyJAFBMEJOYGONBI-UHFFFAOYSA-N
XLogP1.65
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
CID 129403659
[1-(4-chlorophenyl)pyrazol-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638145
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995131
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995130
(1-tert-butylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997987
1-(4-chlorophenyl)-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 120994644
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545737
(4-chloro-2-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995650
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
2-(4-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996904
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120996323) is [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is JAFBMEJOYGONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-15-1-3-16(4-2-15)24-12-14(11-21-24)18(25)23-8-5-17(13-23)22-9-6-20-7-10-22/h1-4,11-12,17,20H,5-10,13H2.
What are the key properties of [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120996323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).