N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide

C25H30N4O — CID 24790604

IUPACN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c30-25(13-7-12-21-8-3-1-4-9-21)27-24-14-17-26-29(24)23-15-18-28(19-16-23)20-22-10-5-2-6-11-22/h1-6,8-11,14,17,23H,7,12-13,15-16,18-20H2,(H,27,30)
InChIKeyWFYWIIHFVYCAKA-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.68
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790604) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790604
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c30-25(13-7-12-21-8-3-1-4-9-21)27-24-14-17-26-29(24)23-15-18-28(19-16-23)20-22-10-5-2-6-11-22/h1-6,8-11,14,17,23H,7,12-13,15-16,18-20H2,(H,27,30)
InChIKeyWFYWIIHFVYCAKA-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzylpiperidin-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

19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
CID 135566411
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 2814962
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(1-methyl-1H-pyrazol-3-yl)-urea
CID 11373714
N-benzhydryl-4-hydroxy-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44231442
Gsk-5498A
CID 46945384
3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751940
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560191

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide (CID 24790604) is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is WFYWIIHFVYCAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c30-25(13-7-12-21-8-3-1-4-9-21)27-24-14-17-26-29(24)23-15-18-28(19-16-23)20-22-10-5-2-6-11-22/h1-6,8-11,14,17,23H,7,12-13,15-16,18-20H2,(H,27,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 402.54 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).