(3-phenyl-1H-pyrazol-5-yl)methanol

C10H10N2O — CID 11389680

IUPAC(3-phenyl-1H-pyrazol-5-yl)methanol
SMILESOCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N2O/c13-7-9-6-10(12-11-9)8-4-2-1-3-5-8/h1-6,13H,7H2,(H,11,12)
InChIKeyQWRIGBFLNPXQDK-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.57
Rot. Bonds2

About (3-phenyl-1H-pyrazol-5-yl)methanol

(3-phenyl-1H-pyrazol-5-yl)methanol (PubChem CID 11389680) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)methanol
PubChem CID11389680
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)methanol
SMILESOCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N2O/c13-7-9-6-10(12-11-9)8-4-2-1-3-5-8/h1-6,13H,7H2,(H,11,12)
InChIKeyQWRIGBFLNPXQDK-UHFFFAOYSA-N
XLogP1.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)methanol (CID 11389680) is (3-phenyl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)methanol is OCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)methanol?
The InChIKey is QWRIGBFLNPXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-7-9-6-10(12-11-9)8-4-2-1-3-5-8/h1-6,13H,7H2,(H,11,12).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)methanol?
(3-phenyl-1H-pyrazol-5-yl)methanol has a molecular weight of 174.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 11389680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).