1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine

C13H16FN3 — CID 82082768

IUPAC1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1cc(N)n(-c2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3/c1-9(2)6-11-8-13(15)17(16-11)12-5-3-4-10(14)7-12/h3-5,7-9H,6,15H2,1-2H3
InChIKeyPPAQXRPYXUXNRY-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine

1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine (PubChem CID 82082768) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
PubChem CID82082768
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1cc(N)n(-c2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3/c1-9(2)6-11-8-13(15)17(16-11)12-5-3-4-10(14)7-12/h3-5,7-9H,6,15H2,1-2H3
InChIKeyPPAQXRPYXUXNRY-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine (CID 82082768) is 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine is CC(C)Cc1cc(N)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is PPAQXRPYXUXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)6-11-8-13(15)17(16-11)12-5-3-4-10(14)7-12/h3-5,7-9H,6,15H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine?
1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 233.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 82082768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).