N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C10H16F3N3 — CID 79620979

IUPACN,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCNCC(C)(C)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-9(2,6-14-3)7-16-5-4-8(15-16)10(11,12)13/h4-5,14H,6-7H2,1-3H3
InChIKeyFZCYRWIPADUQBH-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.15
Rot. Bonds4

About N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 79620979) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID79620979
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCNCC(C)(C)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-9(2,6-14-3)7-16-5-4-8(15-16)10(11,12)13/h4-5,14H,6-7H2,1-3H3
InChIKeyFZCYRWIPADUQBH-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-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,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 79620979) is N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is CNCC(C)(C)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is FZCYRWIPADUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-9(2,6-14-3)7-16-5-4-8(15-16)10(11,12)13/h4-5,14H,6-7H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 79620979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).