(5-methyl-1-phenylpyrazol-4-yl)methanol

C11H12N2O — CID 2776440

IUPAC(5-methyl-1-phenylpyrazol-4-yl)methanol
SMILESCc1c(CO)cnn1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3
InChIKeyJTNWKZVHKLAHTN-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.67
Rot. Bonds2

About (5-methyl-1-phenylpyrazol-4-yl)methanol

(5-methyl-1-phenylpyrazol-4-yl)methanol (PubChem CID 2776440) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)methanol
PubChem CID2776440
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)methanol
SMILESCc1c(CO)cnn1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3
InChIKeyJTNWKZVHKLAHTN-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)methanol (CID 2776440) is (5-methyl-1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)methanol is Cc1c(CO)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)methanol?
The InChIKey is JTNWKZVHKLAHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)methanol?
(5-methyl-1-phenylpyrazol-4-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 2776440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).