1-[(2-methylphenyl)methyl]pyrazol-4-ol

C11H12N2O — CID 116799388

IUPAC1-[(2-methylphenyl)methyl]pyrazol-4-ol
SMILESCc1ccccc1Cn1cc(O)cn1
InChIInChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)7-13-8-11(14)6-12-13/h2-6,8,14H,7H2,1H3
InChIKeyZJTNVEVMGIFPLU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.95
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]pyrazol-4-ol

1-[(2-methylphenyl)methyl]pyrazol-4-ol (PubChem CID 116799388) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]pyrazol-4-ol
PubChem CID116799388
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-[(2-methylphenyl)methyl]pyrazol-4-ol
SMILESCc1ccccc1Cn1cc(O)cn1
InChIInChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)7-13-8-11(14)6-12-13/h2-6,8,14H,7H2,1H3
InChIKeyZJTNVEVMGIFPLU-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-pyrazol-4-ol
CID 642218
1-((4-fluorophenyl)methyl)-1H-pyrazol-4-ol
CID 90457104
1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-ol
CID 90457437
1-((2-chlorophenyl)methyl)-1H-pyrazol-4-ol
CID 90457476
1-((2-(trifluoromethyl)phenyl)methyl)-1H-pyrazol-4-ol
CID 117124790
1-o-Tolyl-1H-pyrazol-4-ol
CID 12901078
1-(4-Methylphenyl)-1H-pyrazol-4-ol
CID 12901079
1-[4-(3-Fluorophenyl)pyrazol-1-yl]butan-2-ol
CID 21491513
[1-[(3-Fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate
CID 67364641
1-[(4-Chloro-2-fluorophenyl)methyl]-1H-pyrazol-4-ol
CID 114863612
1-[(1S)-1-(2-fluorophenyl)ethyl]pyrazol-4-ol
CID 118871163
1-[2-(2-Fluorophenyl)ethyl]pyrazol-4-ol
CID 118871164

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(2-methylphenyl)methyl]pyrazol-4-ol (CID 116799388) is 1-[(2-methylphenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(2-methylphenyl)methyl]pyrazol-4-ol is Cc1ccccc1Cn1cc(O)cn1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]pyrazol-4-ol?
The InChIKey is ZJTNVEVMGIFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)7-13-8-11(14)6-12-13/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]pyrazol-4-ol?
1-[(2-methylphenyl)methyl]pyrazol-4-ol has a molecular weight of 188.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 116799388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).