1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide

C21H21N5O3 — CID 46437483

IUPAC1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C21H21N5O3/c27-21(22-16-7-9-17(10-8-16)24-12-2-1-3-13-24)20-11-14-25(23-20)18-5-4-6-19(15-18)26(28)29/h4-11,14-15H,1-3,12-13H2,(H,22,27)
InChIKeyMPIFEDFOMYYCRB-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.02
Rot. Bonds5

About 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide

1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide (PubChem CID 46437483) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
PubChem CID46437483
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C21H21N5O3/c27-21(22-16-7-9-17(10-8-16)24-12-2-1-3-13-24)20-11-14-25(23-20)18-5-4-6-19(15-18)26(28)29/h4-11,14-15H,1-3,12-13H2,(H,22,27)
InChIKeyMPIFEDFOMYYCRB-UHFFFAOYSA-N
XLogP4.02
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide 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

N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38482435
N-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38417021
5-methyl-1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 37288309
N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 119590853
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55668470
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55952742
1-(3-nitrophenyl)-N-[3-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 46485583
N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38484159
N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 60959424
N-[2-methyl-5-(propanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 46467564
1-(3-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55678999
N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 52692836

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide (CID 46437483) is 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is MPIFEDFOMYYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-21(22-16-7-9-17(10-8-16)24-12-2-1-3-13-24)20-11-14-25(23-20)18-5-4-6-19(15-18)26(28)29/h4-11,14-15H,1-3,12-13H2,(H,22,27).
What are the key properties of 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide?
1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46437483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).