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

C11H11ClN2O — CID 54505304

IUPAC[1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol
SMILESCc1cnn(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C11H11ClN2O/c1-8-6-13-14(11(8)7-15)10-4-2-9(12)3-5-10/h2-6,15H,7H2,1H3
InChIKeyYFGHYHMMTWENFP-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.33
Rot. Bonds2

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

[1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol (PubChem CID 54505304) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol
PubChem CID54505304
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol
SMILESCc1cnn(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C11H11ClN2O/c1-8-6-13-14(11(8)7-15)10-4-2-9(12)3-5-10/h2-6,15H,7H2,1H3
InChIKeyYFGHYHMMTWENFP-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol (CID 54505304) is [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol is Cc1cnn(-c2ccc(Cl)cc2)c1CO.
What is the InChIKey of [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol?
The InChIKey is YFGHYHMMTWENFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-6-13-14(11(8)7-15)10-4-2-9(12)3-5-10/h2-6,15H,7H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol?
[1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol has a molecular weight of 222.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 54505304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).