1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol

C16H21FN2O — CID 64783480

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol
SMILESCCC(C)n1ccc(CC(C)(O)c2cccc(F)c2)n1
InChIInChI=1S/C16H21FN2O/c1-4-12(2)19-9-8-15(18-19)11-16(3,20)13-6-5-7-14(17)10-13/h5-10,12,20H,4,11H2,1-3H3
InChIKeyKIYWTLJBGGZHMT-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.44
Rot. Bonds5

About 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol

1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol (PubChem CID 64783480) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol
PubChem CID64783480
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol
SMILESCCC(C)n1ccc(CC(C)(O)c2cccc(F)c2)n1
InChIInChI=1S/C16H21FN2O/c1-4-12(2)19-9-8-15(18-19)11-16(3,20)13-6-5-7-14(17)10-13/h5-10,12,20H,4,11H2,1-3H3
InChIKeyKIYWTLJBGGZHMT-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-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

Related Compounds

2-(3-fluorophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82868856
2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79445069
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol
CID 66058093
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 64779066
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66057604
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465724
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
CID 83058317
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol (CID 64783480) is 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol is CCC(C)n1ccc(CC(C)(O)c2cccc(F)c2)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol?
The InChIKey is KIYWTLJBGGZHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-12(2)19-9-8-15(18-19)11-16(3,20)13-6-5-7-14(17)10-13/h5-10,12,20H,4,11H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol?
1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol has a molecular weight of 276.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 64783480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).