4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C12H19F3N4O — CID 66124547

IUPAC4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1c(N)c(CC)nn1C
InChIInChI=1S/C12H19F3N4O/c1-4-6-19(7-12(13,14)15)11(20)10-9(16)8(5-2)17-18(10)3/h4-7,16H2,1-3H3
InChIKeySDZXIQJHGFKAEI-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.98
Rot. Bonds5

About 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 66124547) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID66124547
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1c(N)c(CC)nn1C
InChIInChI=1S/C12H19F3N4O/c1-4-6-19(7-12(13,14)15)11(20)10-9(16)8(5-2)17-18(10)3/h4-7,16H2,1-3H3
InChIKeySDZXIQJHGFKAEI-UHFFFAOYSA-N
XLogP1.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 66124547) is 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCCN(CC(F)(F)F)C(=O)c1c(N)c(CC)nn1C.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is SDZXIQJHGFKAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-6-19(7-12(13,14)15)11(20)10-9(16)8(5-2)17-18(10)3/h4-7,16H2,1-3H3.
What are the key properties of 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66124547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).