4-butyl-5-fluoro-3-phenyl-1H-pyrazole

C13H15FN2 — CID 10608857

IUPAC4-butyl-5-fluoro-3-phenyl-1H-pyrazole
SMILESCCCCc1c(-c2ccccc2)n[nH]c1F
InChIInChI=1S/C13H15FN2/c1-2-3-9-11-12(15-16-13(11)14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,15,16)
InChIKeyYEJBUMXQBISIAQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.56
Rot. Bonds4

About 4-butyl-5-fluoro-3-phenyl-1H-pyrazole

4-butyl-5-fluoro-3-phenyl-1H-pyrazole (PubChem CID 10608857) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-butyl-5-fluoro-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-butyl-5-fluoro-3-phenyl-1H-pyrazole
PubChem CID10608857
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-butyl-5-fluoro-3-phenyl-1H-pyrazole
SMILESCCCCc1c(-c2ccccc2)n[nH]c1F
InChIInChI=1S/C13H15FN2/c1-2-3-9-11-12(15-16-13(11)14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,15,16)
InChIKeyYEJBUMXQBISIAQ-UHFFFAOYSA-N
XLogP3.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butyl-5-fluoro-3-phenyl-1H-pyrazole 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

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
3-methyl-1H-indazole
CID 820804
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
3,4-diphenyl-1H-pyrazol-5-amine
CID 737137
4-Methyl-3-phenyl-1H-pyrazole
CID 283921

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-fluoro-3-phenyl-1H-pyrazole?
The IUPAC name of 4-butyl-5-fluoro-3-phenyl-1H-pyrazole (CID 10608857) is 4-butyl-5-fluoro-3-phenyl-1H-pyrazole.
What is the SMILES notation for 4-butyl-5-fluoro-3-phenyl-1H-pyrazole?
The canonical SMILES for 4-butyl-5-fluoro-3-phenyl-1H-pyrazole is CCCCc1c(-c2ccccc2)n[nH]c1F.
What is the InChIKey of 4-butyl-5-fluoro-3-phenyl-1H-pyrazole?
The InChIKey is YEJBUMXQBISIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-3-9-11-12(15-16-13(11)14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,15,16).
What are the key properties of 4-butyl-5-fluoro-3-phenyl-1H-pyrazole?
4-butyl-5-fluoro-3-phenyl-1H-pyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-fluoro-3-phenyl-1H-pyrazole is sourced from PubChem (CID 10608857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).