3-methyl-1-phenylpyrazol-4-ol

C10H10N2O — CID 19072556

IUPAC3-methyl-1-phenylpyrazol-4-ol
SMILESCc1nn(-c2ccccc2)cc1O
InChIInChI=1S/C10H10N2O/c1-8-10(13)7-12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3
InChIKeyINKSTZBGFBOVJA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.89
Rot. Bonds1

About 3-methyl-1-phenylpyrazol-4-ol

3-methyl-1-phenylpyrazol-4-ol (PubChem CID 19072556) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methyl-1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name3-methyl-1-phenylpyrazol-4-ol
PubChem CID19072556
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-methyl-1-phenylpyrazol-4-ol
SMILESCc1nn(-c2ccccc2)cc1O
InChIInChI=1S/C10H10N2O/c1-8-10(13)7-12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3
InChIKeyINKSTZBGFBOVJA-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpyrazol-4-ol?
The IUPAC name of 3-methyl-1-phenylpyrazol-4-ol (CID 19072556) is 3-methyl-1-phenylpyrazol-4-ol.
What is the SMILES notation for 3-methyl-1-phenylpyrazol-4-ol?
The canonical SMILES for 3-methyl-1-phenylpyrazol-4-ol is Cc1nn(-c2ccccc2)cc1O.
What is the InChIKey of 3-methyl-1-phenylpyrazol-4-ol?
The InChIKey is INKSTZBGFBOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-10(13)7-12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3.
What are the key properties of 3-methyl-1-phenylpyrazol-4-ol?
3-methyl-1-phenylpyrazol-4-ol has a molecular weight of 174.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpyrazol-4-ol is sourced from PubChem (CID 19072556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).