1-benzylpyrazol-4-ol

C10H10N2O — CID 642218

IUPAC1-benzylpyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H10N2O/c13-10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8,13H,7H2
InChIKeyBELUNASLYMZLPW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.64
Rot. Bonds2

About 1-benzylpyrazol-4-ol

1-benzylpyrazol-4-ol (PubChem CID 642218) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-benzylpyrazol-4-ol.

Molecular Properties

Compound Name1-benzylpyrazol-4-ol
PubChem CID642218
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-benzylpyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H10N2O/c13-10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8,13H,7H2
InChIKeyBELUNASLYMZLPW-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazol-4-ol?
The IUPAC name of 1-benzylpyrazol-4-ol (CID 642218) is 1-benzylpyrazol-4-ol.
What is the SMILES notation for 1-benzylpyrazol-4-ol?
The canonical SMILES for 1-benzylpyrazol-4-ol is Oc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzylpyrazol-4-ol?
The InChIKey is BELUNASLYMZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8,13H,7H2.
What are the key properties of 1-benzylpyrazol-4-ol?
1-benzylpyrazol-4-ol has a molecular weight of 174.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrazol-4-ol is sourced from PubChem (CID 642218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).