1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol

C14H16BrFN2O — CID 59281579

IUPAC1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C14H16BrFN2O/c1-3-12(19)8-18-14(13(15)9(2)17-18)10-4-6-11(16)7-5-10/h4-7,12,19H,3,8H2,1-2H3
InChIKeyJYMWRSFCSKBRRE-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol

1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol (PubChem CID 59281579) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol
PubChem CID59281579
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C14H16BrFN2O/c1-3-12(19)8-18-14(13(15)9(2)17-18)10-4-6-11(16)7-5-10/h4-7,12,19H,3,8H2,1-2H3
InChIKeyJYMWRSFCSKBRRE-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-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 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol (CID 59281579) is 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol is CCC(O)Cn1nc(C)c(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol?
The InChIKey is JYMWRSFCSKBRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-3-12(19)8-18-14(13(15)9(2)17-18)10-4-6-11(16)7-5-10/h4-7,12,19H,3,8H2,1-2H3.
What are the key properties of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol?
1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol has a molecular weight of 327.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 59281579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).