1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine

C14H17F2N3 — CID 83222541

IUPAC1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine
SMILESCCCCn1cc(N)c(-c2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H17F2N3/c1-3-4-5-19-8-13(17)14(18-19)10-7-11(15)9(2)6-12(10)16/h6-8H,3-5,17H2,1-2H3
InChIKeyQDPFWOYGZLLSPE-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.52
Rot. Bonds4

About 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine

1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine (PubChem CID 83222541) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine
PubChem CID83222541
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine
SMILESCCCCn1cc(N)c(-c2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H17F2N3/c1-3-4-5-19-8-13(17)14(18-19)10-7-11(15)9(2)6-12(10)16/h6-8H,3-5,17H2,1-2H3
InChIKeyQDPFWOYGZLLSPE-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine 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-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine (CID 83222541) is 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine is CCCCn1cc(N)c(-c2cc(F)c(C)cc2F)n1.
What is the InChIKey of 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine?
The InChIKey is QDPFWOYGZLLSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-4-5-19-8-13(17)14(18-19)10-7-11(15)9(2)6-12(10)16/h6-8H,3-5,17H2,1-2H3.
What are the key properties of 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine?
1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83222541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).