1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine

C10H16F3N3 — CID 115927517

IUPAC1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)CC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-6(5-10(11,12)13)14-9-7(2)15-16(4)8(9)3/h6,14H,5H2,1-4H3
InChIKeyJHMHPEAGKJPVGM-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.79
Rot. Bonds3

About 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine

1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine (PubChem CID 115927517) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
PubChem CID115927517
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)CC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-6(5-10(11,12)13)14-9-7(2)15-16(4)8(9)3/h6,14H,5H2,1-4H3
InChIKeyJHMHPEAGKJPVGM-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine (CID 115927517) is 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)CC(F)(F)F.
What is the InChIKey of 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
The InChIKey is JHMHPEAGKJPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-6(5-10(11,12)13)14-9-7(2)15-16(4)8(9)3/h6,14H,5H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine has a molecular weight of 235.25 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 1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 115927517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).