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

C10H14F3N5O2 — CID 64524834

IUPAC3-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)c1cc(N)n[nH]1
InChIInChI=1S/C10H14F3N5O2/c1-17(2)8(19)4-18(5-10(11,12)13)9(20)6-3-7(14)16-15-6/h3H,4-5H2,1-2H3,(H3,14,15,16)
InChIKeyLQEGVUKIDFCTQO-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.08
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524834) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64524834
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name3-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)c1cc(N)n[nH]1
InChIInChI=1S/C10H14F3N5O2/c1-17(2)8(19)4-18(5-10(11,12)13)9(20)6-3-7(14)16-15-6/h3H,4-5H2,1-2H3,(H3,14,15,16)
InChIKeyLQEGVUKIDFCTQO-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64524834) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-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)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LQEGVUKIDFCTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-17(2)8(19)4-18(5-10(11,12)13)9(20)6-3-7(14)16-15-6/h3H,4-5H2,1-2H3,(H3,14,15,16).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-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 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).