N-phenylpyrazole-1-carboxamide

C10H9N3O — CID 3495353

IUPACN-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cccn1
InChIInChI=1S/C10H9N3O/c14-10(13-8-4-7-11-13)12-9-5-2-1-3-6-9/h1-8H,(H,12,14)
InChIKeyUQMSSNPGHUMLNM-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.96
Rot. Bonds1

About N-phenylpyrazole-1-carboxamide

N-phenylpyrazole-1-carboxamide (PubChem CID 3495353) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-phenylpyrazole-1-carboxamide
PubChem CID3495353
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cccn1
InChIInChI=1S/C10H9N3O/c14-10(13-8-4-7-11-13)12-9-5-2-1-3-6-9/h1-8H,(H,12,14)
InChIKeyUQMSSNPGHUMLNM-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylpyrazol-5-ylamine
CID 70006
N-phenyl-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812808
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-phenyl-1H-pyrazol-3-amine
CID 594320
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
3,5-Dimethyl-pyrazole-1-carboxylic acid phenylamide
CID 301738
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526772
N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526911
N-[2-(1-phenylpyrazol-3-yl)ethyl]azetidine-1-carboxamide
CID 53594758
N-hexylindazole-1-carboxamide
CID 137653597

Frequently Asked Questions

What is the IUPAC name of N-phenylpyrazole-1-carboxamide?
The IUPAC name of N-phenylpyrazole-1-carboxamide (CID 3495353) is N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for N-phenylpyrazole-1-carboxamide?
The canonical SMILES for N-phenylpyrazole-1-carboxamide is O=C(Nc1ccccc1)n1cccn1.
What is the InChIKey of N-phenylpyrazole-1-carboxamide?
The InChIKey is UQMSSNPGHUMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(13-8-4-7-11-13)12-9-5-2-1-3-6-9/h1-8H,(H,12,14).
What are the key properties of N-phenylpyrazole-1-carboxamide?
N-phenylpyrazole-1-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 3495353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).