[3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol

C11H12N2O2 — CID 3616748

IUPAC[3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol
SMILESOCc1n[nH]c(CO)c1-c1ccccc1
InChIInChI=1S/C11H12N2O2/c14-6-9-11(10(7-15)13-12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)
InChIKeyRSKAYEMAEZXXGA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.06
Rot. Bonds3

About [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol

[3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol (PubChem CID 3616748) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol
PubChem CID3616748
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name[3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol
SMILESOCc1n[nH]c(CO)c1-c1ccccc1
InChIInChI=1S/C11H12N2O2/c14-6-9-11(10(7-15)13-12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)
InChIKeyRSKAYEMAEZXXGA-UHFFFAOYSA-N
XLogP1.06
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol (CID 3616748) is [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol is OCc1n[nH]c(CO)c1-c1ccccc1.
What is the InChIKey of [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol?
The InChIKey is RSKAYEMAEZXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-6-9-11(10(7-15)13-12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13).
What are the key properties of [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol?
[3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol has a molecular weight of 204.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-phenyl-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 3616748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).