(1-phenylpyrazol-3-yl)methanol

C10H10N2O — CID 47082877

IUPAC(1-phenylpyrazol-3-yl)methanol
SMILESOCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10/h1-7,13H,8H2
InChIKeyLOPWSQUDSPCZMD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.36
Rot. Bonds2

About (1-phenylpyrazol-3-yl)methanol

(1-phenylpyrazol-3-yl)methanol (PubChem CID 47082877) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (1-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-phenylpyrazol-3-yl)methanol
PubChem CID47082877
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(1-phenylpyrazol-3-yl)methanol
SMILESOCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10/h1-7,13H,8H2
InChIKeyLOPWSQUDSPCZMD-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 (1-phenylpyrazol-3-yl)methanol?
The IUPAC name of (1-phenylpyrazol-3-yl)methanol (CID 47082877) is (1-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (1-phenylpyrazol-3-yl)methanol is OCc1ccn(-c2ccccc2)n1.
What is the InChIKey of (1-phenylpyrazol-3-yl)methanol?
The InChIKey is LOPWSQUDSPCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10/h1-7,13H,8H2.
What are the key properties of (1-phenylpyrazol-3-yl)methanol?
(1-phenylpyrazol-3-yl)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 (1-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 47082877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).