(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol

C13H16N2O — CID 83090741

IUPAC(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cn(C)nc2C)cc1
InChIInChI=1S/C13H16N2O/c1-9-4-6-11(7-5-9)13(16)12-8-15(3)14-10(12)2/h4-8,13,16H,1-3H3
InChIKeyMGWBKPZMAGCKRG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol

(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol (PubChem CID 83090741) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
PubChem CID83090741
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cn(C)nc2C)cc1
InChIInChI=1S/C13H16N2O/c1-9-4-6-11(7-5-9)13(16)12-8-15(3)14-10(12)2/h4-8,13,16H,1-3H3
InChIKeyMGWBKPZMAGCKRG-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 (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol (CID 83090741) is (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2cn(C)nc2C)cc1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol?
The InChIKey is MGWBKPZMAGCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-6-11(7-5-9)13(16)12-8-15(3)14-10(12)2/h4-8,13,16H,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol?
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)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 (1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 83090741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).