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

C11H12N2O — CID 2795476

IUPAC(1-methyl-5-phenylpyrazol-4-yl)methanol
SMILESCn1ncc(CO)c1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChIKeyZVGZXURABHDVPS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.58
Rot. Bonds2

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

(1-methyl-5-phenylpyrazol-4-yl)methanol (PubChem CID 2795476) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (1-methyl-5-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-5-phenylpyrazol-4-yl)methanol
PubChem CID2795476
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(1-methyl-5-phenylpyrazol-4-yl)methanol
SMILESCn1ncc(CO)c1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChIKeyZVGZXURABHDVPS-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
(4-(1H-Pyrazol-1-yl)phenyl)methanol
CID 2776480
5-Methyl-1-phenyl-1H-pyrazole-4-methanol
CID 2776440
[1-(4-Fluorophenyl)-5-Methyl-1H-Pyrazol-4-Yl]Methanol
CID 2780717
(E)-2-(benzyloxy)-N-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)ethanamine
CID 659658
(2-Benzyloxy-ethyl)-(1,3-dimethyl-1H-pyrazol-4-ylmethylene)-amine
CID 3131814
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-phenylpyrazol-4-yl)methanol?
The IUPAC name of (1-methyl-5-phenylpyrazol-4-yl)methanol (CID 2795476) is (1-methyl-5-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-methyl-5-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (1-methyl-5-phenylpyrazol-4-yl)methanol is Cn1ncc(CO)c1-c1ccccc1.
What is the InChIKey of (1-methyl-5-phenylpyrazol-4-yl)methanol?
The InChIKey is ZVGZXURABHDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3.
What are the key properties of (1-methyl-5-phenylpyrazol-4-yl)methanol?
(1-methyl-5-phenylpyrazol-4-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 2795476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).