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

C12H19F3N4 — CID 63785168

IUPAC4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1CCN
InChIInChI=1S/C12H19F3N4/c1-8-10(5-6-16)11(18(2)17-8)19(9-3-4-9)7-12(13,14)15/h9H,3-7,16H2,1-2H3
InChIKeyOOVIZCSUGREQLE-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.76
Rot. Bonds5

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

4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63785168) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63785168
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1CCN
InChIInChI=1S/C12H19F3N4/c1-8-10(5-6-16)11(18(2)17-8)19(9-3-4-9)7-12(13,14)15/h9H,3-7,16H2,1-2H3
InChIKeyOOVIZCSUGREQLE-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63785168) is 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(CC(F)(F)F)C2CC2)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is OOVIZCSUGREQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8-10(5-6-16)11(18(2)17-8)19(9-3-4-9)7-12(13,14)15/h9H,3-7,16H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 276.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63785168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).