[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol

C13H16N2O2 — CID 82049055

IUPAC[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol
SMILESCOc1cc(C)c(-c2cc(CO)[nH]n2)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-8-4-11(17-3)5-9(2)13(8)12-6-10(7-16)14-15-12/h4-6,16H,7H2,1-3H3,(H,14,15)
InChIKeyPVWUEIWOCDKUEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.19
Rot. Bonds3

About [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol

[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol (PubChem CID 82049055) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol
PubChem CID82049055
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol
SMILESCOc1cc(C)c(-c2cc(CO)[nH]n2)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-8-4-11(17-3)5-9(2)13(8)12-6-10(7-16)14-15-12/h4-6,16H,7H2,1-3H3,(H,14,15)
InChIKeyPVWUEIWOCDKUEH-UHFFFAOYSA-N
XLogP2.19
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 96666406
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]methanol
CID 39752339
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
[4-(2,4-dimethoxy-6-methylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867467
5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine
CID 102140573
2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113495
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol (CID 82049055) is [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol is COc1cc(C)c(-c2cc(CO)[nH]n2)c(C)c1.
What is the InChIKey of [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is PVWUEIWOCDKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-4-11(17-3)5-9(2)13(8)12-6-10(7-16)14-15-12/h4-6,16H,7H2,1-3H3,(H,14,15).
What are the key properties of [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol?
[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 232.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 82049055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).