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

C12H20F3N3 — CID 64771207

IUPACN-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCNC(Cc1ccn(C(C)C)n1)CC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-4-16-11(8-12(13,14)15)7-10-5-6-18(17-10)9(2)3/h5-6,9,11,16H,4,7-8H2,1-3H3
InChIKeyASOLLZOSENGAGX-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.94
Rot. Bonds6

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

N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 64771207) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID64771207
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCNC(Cc1ccn(C(C)C)n1)CC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-4-16-11(8-12(13,14)15)7-10-5-6-18(17-10)9(2)3/h5-6,9,11,16H,4,7-8H2,1-3H3
InChIKeyASOLLZOSENGAGX-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4,4,4-trifluoro-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 N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 64771207) is N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CCNC(Cc1ccn(C(C)C)n1)CC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is ASOLLZOSENGAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-4-16-11(8-12(13,14)15)7-10-5-6-18(17-10)9(2)3/h5-6,9,11,16H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 64771207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).