4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C10H14F3N5O2 — CID 63104481

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H14F3N5O2/c1-17(2)7(19)4-18(5-10(11,12)13)9(20)8-6(14)3-15-16-8/h3H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyFQJSGCUAGFXXCC-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.08
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63104481) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID63104481
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H14F3N5O2/c1-17(2)7(19)4-18(5-10(11,12)13)9(20)8-6(14)3-15-16-8/h3H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyFQJSGCUAGFXXCC-UHFFFAOYSA-N
XLogP0.08
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-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]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 63104481) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FQJSGCUAGFXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-17(2)7(19)4-18(5-10(11,12)13)9(20)8-6(14)3-15-16-8/h3H,4-5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 293.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).