4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C11H16F3N5O2 — CID 65354021

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1nn(C)cc1N
InChIInChI=1S/C11H16F3N5O2/c1-17(2)8(20)5-19(6-11(12,13)14)10(21)9-7(15)4-18(3)16-9/h4H,5-6,15H2,1-3H3
InChIKeyKHIKPPYEZZNHKI-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.09
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 65354021) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID65354021
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1nn(C)cc1N
InChIInChI=1S/C11H16F3N5O2/c1-17(2)8(20)5-19(6-11(12,13)14)10(21)9-7(15)4-18(3)16-9/h4H,5-6,15H2,1-3H3
InChIKeyKHIKPPYEZZNHKI-UHFFFAOYSA-N
XLogP0.09
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide 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-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 65354021) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is KHIKPPYEZZNHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-17(2)8(20)5-19(6-11(12,13)14)10(21)9-7(15)4-18(3)16-9/h4H,5-6,15H2,1-3H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65354021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).