[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol

C11H11ClN2O — CID 89482659

IUPAC[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1ncc(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C11H11ClN2O/c1-14-11(7-15)10(6-13-14)8-2-4-9(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyHYLJQXCFJHMYFS-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.23
Rot. Bonds2

About [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol

[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol (PubChem CID 89482659) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
PubChem CID89482659
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1ncc(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C11H11ClN2O/c1-14-11(7-15)10(6-13-14)8-2-4-9(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyHYLJQXCFJHMYFS-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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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol (CID 89482659) is [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol is Cn1ncc(-c2ccc(Cl)cc2)c1CO.
What is the InChIKey of [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol?
The InChIKey is HYLJQXCFJHMYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-11(7-15)10(6-13-14)8-2-4-9(12)5-3-8/h2-6,15H,7H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol?
[4-(4-chlorophenyl)-1-methylpyrazol-5-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 [4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 89482659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).