5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C11H9F5N4 — CID 144866117

IUPAC5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccn(CC(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C11H9F5N4/c12-9(13)5-20-2-1-8(19-20)6-3-7(11(14,15)16)10(17)18-4-6/h1-4,9H,5H2,(H2,17,18)
InChIKeyMZTMLFRCQXZICX-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.81
Rot. Bonds3

About 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 144866117) has the molecular formula C11H9F5N4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID144866117
Molecular FormulaC11H9F5N4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccn(CC(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C11H9F5N4/c12-9(13)5-20-2-1-8(19-20)6-3-7(11(14,15)16)10(17)18-4-6/h1-4,9H,5H2,(H2,17,18)
InChIKeyMZTMLFRCQXZICX-UHFFFAOYSA-N
XLogP2.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
CID 134317602
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine
CID 144669855
4-[1-[(2R)-2-aminopropyl]pyrazol-3-yl]-2-(trifluoromethyl)benzonitrile
CID 67180702
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 59252057
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
CID 134316841
5-[1-(2,2-difluoroethyl)-5-(8-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144865969
5-[1-(2,2-difluoroethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118161605
5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 25122276
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-(methylamino)acetamide
CID 59252003
5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one
CID 91801791
4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide
CID 91297494
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-ethoxyacetamide
CID 59251744

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 144866117) is 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccn(CC(F)F)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MZTMLFRCQXZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5N4/c12-9(13)5-20-2-1-8(19-20)6-3-7(11(14,15)16)10(17)18-4-6/h1-4,9H,5H2,(H2,17,18).
What are the key properties of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 144866117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).