5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide

C18H18N4O — CID 72935188

IUPAC5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccn1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H18N4O/c23-18(20-12-6-10-15-9-4-5-11-19-15)16-13-21-22-17(16)14-7-2-1-3-8-14/h1-5,7-9,11,13H,6,10,12H2,(H,20,23)(H,21,22)
InChIKeyRHXLVCKAOASHRM-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.83
Rot. Bonds6

About 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide

5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 72935188) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID72935188
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccn1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H18N4O/c23-18(20-12-6-10-15-9-4-5-11-19-15)16-13-21-22-17(16)14-7-2-1-3-8-14/h1-5,7-9,11,13H,6,10,12H2,(H,20,23)(H,21,22)
InChIKeyRHXLVCKAOASHRM-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824606
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
5-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 74231466
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72882328
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide (CID 72935188) is 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide is O=C(NCCCc1ccccn1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RHXLVCKAOASHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(20-12-6-10-15-9-4-5-11-19-15)16-13-21-22-17(16)14-7-2-1-3-8-14/h1-5,7-9,11,13H,6,10,12H2,(H,20,23)(H,21,22).
What are the key properties of 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide?
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72935188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).