1-butyl-5-(trifluoromethyl)pyrazol-3-amine

C8H12F3N3 — CID 79873467

IUPAC1-butyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCCCn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-2-3-4-14-6(8(9,10)11)5-7(12)13-14/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyOPNWJLLZIUZIHH-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.28
Rot. Bonds3

About 1-butyl-5-(trifluoromethyl)pyrazol-3-amine

1-butyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 79873467) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-butyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID79873467
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-butyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCCCn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-2-3-4-14-6(8(9,10)11)5-7(12)13-14/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyOPNWJLLZIUZIHH-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-butyl-5-(trifluoromethyl)pyrazol-3-amine (CID 79873467) is 1-butyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-butyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-butyl-5-(trifluoromethyl)pyrazol-3-amine is CCCCn1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-butyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is OPNWJLLZIUZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-2-3-4-14-6(8(9,10)11)5-7(12)13-14/h5H,2-4H2,1H3,(H2,12,13).
What are the key properties of 1-butyl-5-(trifluoromethyl)pyrazol-3-amine?
1-butyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 207.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 79873467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).