5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide

C21H22N4O — CID 17434880

IUPAC5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H22N4O/c26-21(19-15-22-24-20(19)16-7-3-1-4-8-16)23-17-9-11-18(12-10-17)25-13-5-2-6-14-25/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24)(H,23,26)
InChIKeyIFKFISOWGZJXBG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.32
Rot. Bonds4

About 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide

5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 17434880) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID17434880
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H22N4O/c26-21(19-15-22-24-20(19)16-7-3-1-4-8-16)23-17-9-11-18(12-10-17)25-13-5-2-6-14-25/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24)(H,23,26)
InChIKeyIFKFISOWGZJXBG-UHFFFAOYSA-N
XLogP4.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56552323
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55840415
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 110451835
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
CID 16832284
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide (CID 17434880) is 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is IFKFISOWGZJXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(19-15-22-24-20(19)16-7-3-1-4-8-16)23-17-9-11-18(12-10-17)25-13-5-2-6-14-25/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24)(H,23,26).
What are the key properties of 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17434880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).