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

C9H14F3N3 — CID 162611382

IUPACN,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
SMILESCC(Cn1ccc(C(F)(F)F)n1)N(C)C
InChIInChI=1S/C9H14F3N3/c1-7(14(2)3)6-15-5-4-8(13-15)9(10,11)12/h4-5,7H,6H2,1-3H3
InChIKeyBYDUFQWEPVANRF-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.85
Rot. Bonds3

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

N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine (PubChem CID 162611382) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
PubChem CID162611382
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
SMILESCC(Cn1ccc(C(F)(F)F)n1)N(C)C
InChIInChI=1S/C9H14F3N3/c1-7(14(2)3)6-15-5-4-8(13-15)9(10,11)12/h4-5,7H,6H2,1-3H3
InChIKeyBYDUFQWEPVANRF-UHFFFAOYSA-N
XLogP1.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole
CID 89368566
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989366
bis[(2S)-3,3-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] carbonate
CID 87869267
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine (CID 162611382) is N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine is CC(Cn1ccc(C(F)(F)F)n1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is BYDUFQWEPVANRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-7(14(2)3)6-15-5-4-8(13-15)9(10,11)12/h4-5,7H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 162611382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).