(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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Related Compounds

furan-3-yl-(2-methylpyrazol-3-yl)methanol
CID 63960730
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
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[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
CID 115527836
(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
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N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
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(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332266
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
CID 115799051
(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293069
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105098276
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696

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).