[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone

C21H27ClN4O — CID 55596430

IUPAC[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H27ClN4O/c1-2-20-19(15-23-26(20)18-9-5-6-16(22)14-18)21(27)25-12-10-24(11-13-25)17-7-3-4-8-17/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3
InChIKeyWGPNWEPDDSYPFT-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.79
Rot. Bonds4

About [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone

[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 55596430) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID55596430
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H27ClN4O/c1-2-20-19(15-23-26(20)18-9-5-6-16(22)14-18)21(27)25-12-10-24(11-13-25)17-7-3-4-8-17/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3
InChIKeyWGPNWEPDDSYPFT-UHFFFAOYSA-N
XLogP3.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 55599229
[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38908946
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487791
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]methanone
CID 120814267
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56533804
6-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175288
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone
CID 51935043
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]methanone
CID 31889424
(3aS,6aR)-2-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683655

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 55596430) is [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone is CCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is WGPNWEPDDSYPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-2-20-19(15-23-26(20)18-9-5-6-16(22)14-18)21(27)25-12-10-24(11-13-25)17-7-3-4-8-17/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 386.93 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 55596430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).