5-phenyl-1H-pyrazole-4-carboxamide

C10H9N3O — CID 43132182

IUPAC5-phenyl-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C10H9N3O/c11-10(14)8-6-12-13-9(8)7-4-2-1-3-5-7/h1-6H,(H2,11,14)(H,12,13)
InChIKeyRNCPLEOTIAIKOR-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.18
Rot. Bonds2

About 5-phenyl-1H-pyrazole-4-carboxamide

5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 43132182) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID43132182
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-phenyl-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C10H9N3O/c11-10(14)8-6-12-13-9(8)7-4-2-1-3-5-7/h1-6H,(H2,11,14)(H,12,13)
InChIKeyRNCPLEOTIAIKOR-UHFFFAOYSA-N
XLogP1.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-phenyl-1H-pyrazole-4-carboxamide (CID 43132182) is 5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-phenyl-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is RNCPLEOTIAIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(14)8-6-12-13-9(8)7-4-2-1-3-5-7/h1-6H,(H2,11,14)(H,12,13).
What are the key properties of 5-phenyl-1H-pyrazole-4-carboxamide?
5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43132182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).