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

C9H14F3N3 — CID 114526778

IUPACN,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-14(2)5-3-6-15-7-4-8(13-15)9(10,11)12/h4,7H,3,5-6H2,1-2H3
InChIKeyXBQIJCFNTIJJPW-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.85
Rot. Bonds4

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

N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 114526778) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID114526778
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-14(2)5-3-6-15-7-4-8(13-15)9(10,11)12/h4,7H,3,5-6H2,1-2H3
InChIKeyXBQIJCFNTIJJPW-UHFFFAOYSA-N
XLogP1.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 106810077
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
1-[(E)-but-2-enyl]-3-(trifluoromethyl)pyrazole
CID 116621378

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 114526778) is N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is CN(C)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is XBQIJCFNTIJJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-14(2)5-3-6-15-7-4-8(13-15)9(10,11)12/h4,7H,3,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 114526778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).