[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol

C11H11ClN2O — CID 39095867

IUPAC[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN2O/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyOZFZACTXFCHSHB-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.23
Rot. Bonds2

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

[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol (PubChem CID 39095867) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
PubChem CID39095867
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN2O/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyOZFZACTXFCHSHB-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096770
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
N-[[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485212
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone
CID 170871696
3-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carbonitrile
CID 168841681
[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol
CID 146469015
4-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 83647480
4-[4-(chloromethyl)-1-methylpyrazol-3-yl]benzonitrile
CID 75480452
[1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]methanamine
CID 39095767

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol (CID 39095867) is [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol is Cn1cc(CO)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol?
The InChIKey is OZFZACTXFCHSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol?
[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol has a molecular weight of 222.68 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 39095867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).