(4-pyrazol-1-ylphenyl)methanol

C10H10N2O — CID 2776480

IUPAC(4-pyrazol-1-ylphenyl)methanol
SMILESOCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H10N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-7,13H,8H2
InChIKeyMMGMLIHSHFKRDK-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.36
Rot. Bonds2

About (4-pyrazol-1-ylphenyl)methanol

(4-pyrazol-1-ylphenyl)methanol (PubChem CID 2776480) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methanol
PubChem CID2776480
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(4-pyrazol-1-ylphenyl)methanol
SMILESOCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H10N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-7,13H,8H2
InChIKeyMMGMLIHSHFKRDK-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methanol?
The IUPAC name of (4-pyrazol-1-ylphenyl)methanol (CID 2776480) is (4-pyrazol-1-ylphenyl)methanol.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methanol?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methanol is OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methanol?
The InChIKey is MMGMLIHSHFKRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-7,13H,8H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methanol?
(4-pyrazol-1-ylphenyl)methanol has a molecular weight of 174.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methanol is sourced from PubChem (CID 2776480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).