[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone

C24H25ClN4O — CID 9363214

IUPAC[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2
InChIKeyRXZLFESEYCCPPE-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.36
Rot. Bonds5

About [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone (PubChem CID 9363214) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
PubChem CID9363214
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2
InChIKeyRXZLFESEYCCPPE-UHFFFAOYSA-N
XLogP4.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15603837
Xrp44X
CID 10339779
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 11408036
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
Nvs-bet-1
CID 86294693
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-c]pyridin-7(6H)-one
CID 11407971
1-{[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]carbonyl}-4-phenylpiperidine-4-carboxamide
CID 57342713
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
CID 23652124
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
CID 42617975
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617976
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617977
6-Tert-butyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617978

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone (CID 9363214) is [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone is O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
The InChIKey is RXZLFESEYCCPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone has a molecular weight of 420.94 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 9363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).