[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol

C12H14N2O — CID 62730723

IUPAC[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1cccc(Cn2cc(CO)cn2)c1
InChIInChI=1S/C12H14N2O/c1-10-3-2-4-11(5-10)7-14-8-12(9-15)6-13-14/h2-6,8,15H,7,9H2,1H3
InChIKeyUIIOZSYQLHFYOY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

About [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol

[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 62730723) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID62730723
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1cccc(Cn2cc(CO)cn2)c1
InChIInChI=1S/C12H14N2O/c1-10-3-2-4-11(5-10)7-14-8-12(9-15)6-13-14/h2-6,8,15H,7,9H2,1H3
InChIKeyUIIOZSYQLHFYOY-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
CID 62729636
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
1-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900371
1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
CID 166251290
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)thiourea
CID 19344014
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol (CID 62730723) is [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol is Cc1cccc(Cn2cc(CO)cn2)c1.
What is the InChIKey of [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is UIIOZSYQLHFYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-3-2-4-11(5-10)7-14-8-12(9-15)6-13-14/h2-6,8,15H,7,9H2,1H3.
What are the key properties of [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 202.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 62730723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).