1-phenylpyrazol-4-ol

C9H8N2O — CID 555359

IUPAC1-phenylpyrazol-4-ol
SMILESOc1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKeyPAIIFXHEHLRVNC-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.58
Rot. Bonds1

About 1-phenylpyrazol-4-ol

1-phenylpyrazol-4-ol (PubChem CID 555359) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name1-phenylpyrazol-4-ol
PubChem CID555359
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-phenylpyrazol-4-ol
SMILESOc1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKeyPAIIFXHEHLRVNC-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazol-4-ol?
The IUPAC name of 1-phenylpyrazol-4-ol (CID 555359) is 1-phenylpyrazol-4-ol.
What is the SMILES notation for 1-phenylpyrazol-4-ol?
The canonical SMILES for 1-phenylpyrazol-4-ol is Oc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenylpyrazol-4-ol?
The InChIKey is PAIIFXHEHLRVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H.
What are the key properties of 1-phenylpyrazol-4-ol?
1-phenylpyrazol-4-ol has a molecular weight of 160.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazol-4-ol is sourced from PubChem (CID 555359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).