4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C11H18F3N3 — CID 64771206

IUPAC4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCNC(Cc1ccn(C(C)C)n1)CC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-8(2)17-5-4-9(16-17)6-10(15-3)7-11(12,13)14/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyDLNJDRCRNCWOBV-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.55
Rot. Bonds5

About 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 64771206) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID64771206
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCNC(Cc1ccn(C(C)C)n1)CC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-8(2)17-5-4-9(16-17)6-10(15-3)7-11(12,13)14/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyDLNJDRCRNCWOBV-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-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 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 64771206) is 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CNC(Cc1ccn(C(C)C)n1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is DLNJDRCRNCWOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-8(2)17-5-4-9(16-17)6-10(15-3)7-11(12,13)14/h4-5,8,10,15H,6-7H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 64771206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).