1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C12H21F3N4 — CID 55008674

IUPAC1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CNC)c(C)nn1C
InChIInChI=1S/C12H21F3N4/c1-5-6-19(8-12(13,14)15)11-10(7-16-3)9(2)17-18(11)4/h16H,5-8H2,1-4H3
InChIKeyOGZKSWZBLMRERS-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.23
Rot. Bonds6

About 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55008674) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55008674
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CNC)c(C)nn1C
InChIInChI=1S/C12H21F3N4/c1-5-6-19(8-12(13,14)15)11-10(7-16-3)9(2)17-18(11)4/h16H,5-8H2,1-4H3
InChIKeyOGZKSWZBLMRERS-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.23
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-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55008674) is 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCCN(CC(F)(F)F)c1c(CNC)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is OGZKSWZBLMRERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-5-6-19(8-12(13,14)15)11-10(7-16-3)9(2)17-18(11)4/h16H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55008674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).