[1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol

C13H13Cl2FN2O — CID 57443266

IUPAC[1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2c(Cl)cc(F)cc2Cl)c1CO
InChIInChI=1S/C13H13Cl2FN2O/c1-7(2)9-5-17-18(12(9)6-19)13-10(14)3-8(16)4-11(13)15/h3-5,7,19H,6H2,1-2H3
InChIKeyNWHWMEQCSZYBOV-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.93
Rot. Bonds3

About [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol

[1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol (PubChem CID 57443266) has the molecular formula C13H13Cl2FN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
PubChem CID57443266
Molecular FormulaC13H13Cl2FN2O
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name[1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2c(Cl)cc(F)cc2Cl)c1CO
InChIInChI=1S/C13H13Cl2FN2O/c1-7(2)9-5-17-18(12(9)6-19)13-10(14)3-8(16)4-11(13)15/h3-5,7,19H,6H2,1-2H3
InChIKeyNWHWMEQCSZYBOV-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
The IUPAC name of [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol (CID 57443266) is [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
The canonical SMILES for [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol is CC(C)c1cnn(-c2c(Cl)cc(F)cc2Cl)c1CO.
What is the InChIKey of [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
The InChIKey is NWHWMEQCSZYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN2O/c1-7(2)9-5-17-18(12(9)6-19)13-10(14)3-8(16)4-11(13)15/h3-5,7,19H,6H2,1-2H3.
What are the key properties of [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
[1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol has a molecular weight of 303.16 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloro-4-fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol is sourced from PubChem (CID 57443266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).