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

C9H13F3N4O — CID 146680585

IUPAC3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C9H13F3N4O/c1-3-15(2)8(17)6-4-16(14-7(6)13)5-9(10,11)12/h4H,3,5H2,1-2H3,(H2,13,14)
InChIKeyPZWORBSUUFNBPF-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.12
Rot. Bonds3

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

3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 146680585) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID146680585
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C9H13F3N4O/c1-3-15(2)8(17)6-4-16(14-7(6)13)5-9(10,11)12/h4H,3,5H2,1-2H3,(H2,13,14)
InChIKeyPZWORBSUUFNBPF-UHFFFAOYSA-N
XLogP1.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 146680585) is 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCN(C)C(=O)c1cn(CC(F)(F)F)nc1N.
What is the InChIKey of 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is PZWORBSUUFNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-3-15(2)8(17)6-4-16(14-7(6)13)5-9(10,11)12/h4H,3,5H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146680585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).