(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol

C13H16N2O — CID 63960732

IUPAC(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCc1cc(C)cc(C(O)c2ccnn2C)c1
InChIInChI=1S/C13H16N2O/c1-9-6-10(2)8-11(7-9)13(16)12-4-5-14-15(12)3/h4-8,13,16H,1-3H3
InChIKeyVCDOLOJZTLFBJX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds2

About (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol

(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 63960732) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID63960732
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCc1cc(C)cc(C(O)c2ccnn2C)c1
InChIInChI=1S/C13H16N2O/c1-9-6-10(2)8-11(7-9)13(16)12-4-5-14-15(12)3/h4-8,13,16H,1-3H3
InChIKeyVCDOLOJZTLFBJX-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol (CID 63960732) is (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol is Cc1cc(C)cc(C(O)c2ccnn2C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is VCDOLOJZTLFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-6-10(2)8-11(7-9)13(16)12-4-5-14-15(12)3/h4-8,13,16H,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol?
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 216.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 63960732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).