4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C10H15F3N4O — CID 65358307

IUPAC4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C10H15F3N4O/c1-3-16(6-10(11,12)13)9(18)8-7(14)5-17(4-2)15-8/h5H,3-4,6,14H2,1-2H3
InChIKeyJPSNTWJSXNBJOF-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 65358307) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID65358307
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C10H15F3N4O/c1-3-16(6-10(11,12)13)9(18)8-7(14)5-17(4-2)15-8/h5H,3-4,6,14H2,1-2H3
InChIKeyJPSNTWJSXNBJOF-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
2,5-Dimethyl-6-hydropyrazolo[4,3-d]pyrimidin-7-one
CID 135768543
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
3-amino-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 122673591
2-methyl-2H-pyrazolo(4,3-d)pyrimidin-7-ol
CID 135833870
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 65358307) is 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is JPSNTWJSXNBJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-16(6-10(11,12)13)9(18)8-7(14)5-17(4-2)15-8/h5H,3-4,6,14H2,1-2H3.
What are the key properties of 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65358307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).