3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol

C13H15ClN2O — CID 14568874

IUPAC3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol
SMILESCC(O)C(C)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8(9(2)17)12-7-13(16-15-12)10-3-5-11(14)6-4-10/h3-9,17H,1-2H3,(H,15,16)
InChIKeyGAYPRUQXHXZNSQ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.21
Rot. Bonds3

About 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol

3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol (PubChem CID 14568874) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol
PubChem CID14568874
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol
SMILESCC(O)C(C)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8(9(2)17)12-7-13(16-15-12)10-3-5-11(14)6-4-10/h3-9,17H,1-2H3,(H,15,16)
InChIKeyGAYPRUQXHXZNSQ-UHFFFAOYSA-N
XLogP3.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol 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 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol?
The IUPAC name of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol (CID 14568874) is 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol is CC(O)C(C)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol?
The InChIKey is GAYPRUQXHXZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8(9(2)17)12-7-13(16-15-12)10-3-5-11(14)6-4-10/h3-9,17H,1-2H3,(H,15,16).
What are the key properties of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol?
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol has a molecular weight of 250.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol is sourced from PubChem (CID 14568874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).