1-hydroxy-3-phenylpyrazole-4-carbonitrile

C10H7N3O — CID 10058227

IUPAC1-hydroxy-3-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(O)nc1-c1ccccc1
InChIInChI=1S/C10H7N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H
InChIKeyJBQGWEBNQXTIRN-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.66
Rot. Bonds1

About 1-hydroxy-3-phenylpyrazole-4-carbonitrile

1-hydroxy-3-phenylpyrazole-4-carbonitrile (PubChem CID 10058227) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-hydroxy-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-3-phenylpyrazole-4-carbonitrile
PubChem CID10058227
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name1-hydroxy-3-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(O)nc1-c1ccccc1
InChIInChI=1S/C10H7N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H
InChIKeyJBQGWEBNQXTIRN-UHFFFAOYSA-N
XLogP1.66
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-hydroxy-3-phenylpyrazole-4-carbonitrile (CID 10058227) is 1-hydroxy-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-hydroxy-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-hydroxy-3-phenylpyrazole-4-carbonitrile is N#Cc1cn(O)nc1-c1ccccc1.
What is the InChIKey of 1-hydroxy-3-phenylpyrazole-4-carbonitrile?
The InChIKey is JBQGWEBNQXTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H.
What are the key properties of 1-hydroxy-3-phenylpyrazole-4-carbonitrile?
1-hydroxy-3-phenylpyrazole-4-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 10058227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).