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

C12H19F3N4 — CID 55009267

IUPACN-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N4/c1-8-10(6-16-2)11(18(3)17-8)19(9-4-5-9)7-12(13,14)15/h9,16H,4-7H2,1-3H3
InChIKeyYHALMBUGKAMVJW-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.98
Rot. Bonds5

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

N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55009267) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55009267
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N4/c1-8-10(6-16-2)11(18(3)17-8)19(9-4-5-9)7-12(13,14)15/h9,16H,4-7H2,1-3H3
InChIKeyYHALMBUGKAMVJW-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55009267) is N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CNCc1c(C)nn(C)c1N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is YHALMBUGKAMVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8-10(6-16-2)11(18(3)17-8)19(9-4-5-9)7-12(13,14)15/h9,16H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 276.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).