N-phenyl-1H-pyrazole-5-carboxamide

C10H9N3O — CID 680935

IUPACN-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
InChIKeyWMZYZYFPPQOFKY-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.66
Rot. Bonds2

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

N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 680935) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-1H-pyrazole-5-carboxamide
PubChem CID680935
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
InChIKeyWMZYZYFPPQOFKY-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
CID 46428826
N-[3-(chloromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 114293227
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 103789326
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 172723177
5-iodo-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63111258
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-phenyl-1H-pyrazole-5-carboxamide (CID 680935) is N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WMZYZYFPPQOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14).
What are the key properties of N-phenyl-1H-pyrazole-5-carboxamide?
N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 680935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).