N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C25H29ClN4O — CID 24790157

IUPACN-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31)
InChIKeyVZVSNQFZTIYLDI-UHFFFAOYSA-N
MW436.99 g/mol
LogP5.34
Rot. Bonds8

About N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790157) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790157
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC NameN-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31)
InChIKeyVZVSNQFZTIYLDI-UHFFFAOYSA-N
XLogP5.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-394136
CID 135446049
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
1-tert-butyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-5-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 154699442
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135567004
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
[7-(3-Chlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450037
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 135450069

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24790157) is N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is VZVSNQFZTIYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31).
What are the key properties of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 436.99 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).