3-butyl-1-(4-fluorophenyl)pyrazol-5-amine

C13H16FN3 — CID 82082766

IUPAC3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
SMILESCCCCc1cc(N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3/c1-2-3-4-11-9-13(15)17(16-11)12-7-5-10(14)6-8-12/h5-9H,2-4,15H2,1H3
InChIKeyYWCZBHJPZYKEMD-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.94
Rot. Bonds4

About 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine

3-butyl-1-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 82082766) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
PubChem CID82082766
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
SMILESCCCCc1cc(N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3/c1-2-3-4-11-9-13(15)17(16-11)12-7-5-10(14)6-8-12/h5-9H,2-4,15H2,1H3
InChIKeyYWCZBHJPZYKEMD-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine (CID 82082766) is 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine is CCCCc1cc(N)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is YWCZBHJPZYKEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-3-4-11-9-13(15)17(16-11)12-7-5-10(14)6-8-12/h5-9H,2-4,15H2,1H3.
What are the key properties of 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine?
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 233.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 82082766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).