3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine

C9H13F3N4 — CID 90105409

IUPAC3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine
SMILESCc1nn(C2CN(CC(F)(F)F)C2)cc1N
InChIInChI=1S/C9H13F3N4/c1-6-8(13)4-16(14-6)7-2-15(3-7)5-9(10,11)12/h4,7H,2-3,5,13H2,1H3
InChIKeyYBQAPDOJFKDXJG-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.19
Rot. Bonds2

About 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine

3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine (PubChem CID 90105409) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine
PubChem CID90105409
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine
SMILESCc1nn(C2CN(CC(F)(F)F)C2)cc1N
InChIInChI=1S/C9H13F3N4/c1-6-8(13)4-16(14-6)7-2-15(3-7)5-9(10,11)12/h4,7H,2-3,5,13H2,1H3
InChIKeyYBQAPDOJFKDXJG-UHFFFAOYSA-N
XLogP1.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine (CID 90105409) is 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine is Cc1nn(C2CN(CC(F)(F)F)C2)cc1N.
What is the InChIKey of 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine?
The InChIKey is YBQAPDOJFKDXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-6-8(13)4-16(14-6)7-2-15(3-7)5-9(10,11)12/h4,7H,2-3,5,13H2,1H3.
What are the key properties of 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine?
3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine has a molecular weight of 234.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-amine is sourced from PubChem (CID 90105409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).