[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol

C17H15ClN2O2 — CID 3799605

IUPAC[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-10,21H,11H2,1H3
InChIKeyNECQZTKXDUGLSX-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.69
Rot. Bonds4

About [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol

[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol (PubChem CID 3799605) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
PubChem CID3799605
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-10,21H,11H2,1H3
InChIKeyNECQZTKXDUGLSX-UHFFFAOYSA-N
XLogP3.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone
CID 170871696
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 138506131
[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 7245329
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095867
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2502427
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol (CID 3799605) is [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol is COc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The InChIKey is NECQZTKXDUGLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-10,21H,11H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol has a molecular weight of 314.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).