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

C17H15ClN2O — CID 3820549

IUPAC[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-2-4-13(5-3-12)17-14(11-21)10-20(19-17)16-8-6-15(18)7-9-16/h2-10,21H,11H2,1H3
InChIKeyCXWKUGJGKTZKHT-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.99
Rot. Bonds3

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

[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 3820549) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
PubChem CID3820549
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-2-4-13(5-3-12)17-14(11-21)10-20(19-17)16-8-6-15(18)7-9-16/h2-10,21H,11H2,1H3
InChIKeyCXWKUGJGKTZKHT-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetonitrile
CID 20542746
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095867
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 165072337
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
CID 67048003
CID 67048003
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol (CID 3820549) is [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol is Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is CXWKUGJGKTZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-2-4-13(5-3-12)17-14(11-21)10-20(19-17)16-8-6-15(18)7-9-16/h2-10,21H,11H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 298.77 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3820549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).