[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol

C18H18N2O3 — CID 883556

IUPAC[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-9-8-13(10-17(16)23-2)18-14(12-21)11-20(19-18)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3
InChIKeyKLUXBIKJOBTKKH-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.05
Rot. Bonds5

About [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 883556) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID883556
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-9-8-13(10-17(16)23-2)18-14(12-21)11-20(19-18)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3
InChIKeyKLUXBIKJOBTKKH-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene
CID 91897793
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 7245329
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 20542793
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
(E)-3-(3,4-dimethoxyphenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 39763774
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
(Z)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2332925

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol (CID 883556) is [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol is COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is KLUXBIKJOBTKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-9-8-13(10-17(16)23-2)18-14(12-21)11-20(19-18)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 310.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 883556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).