1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine

C11H19F3N4 — CID 55046221

IUPAC1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N4/c1-7(2)18(6-11(12,13)14)5-9-8(3)16-17(4)10(9)15/h7H,5-6,15H2,1-4H3
InChIKeyWJWGYNWWAUVCEQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds4

About 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine

1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine (PubChem CID 55046221) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
PubChem CID55046221
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N4/c1-7(2)18(6-11(12,13)14)5-9-8(3)16-17(4)10(9)15/h7H,5-6,15H2,1-4H3
InChIKeyWJWGYNWWAUVCEQ-UHFFFAOYSA-N
XLogP2.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine (CID 55046221) is 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N)c1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
The InChIKey is WJWGYNWWAUVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-7(2)18(6-11(12,13)14)5-9-8(3)16-17(4)10(9)15/h7H,5-6,15H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 55046221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).