4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide

C11H16F3N5O2 — CID 65357311

IUPAC4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H16F3N5O2/c1-3-19-9(7(15)4-17-19)10(21)18(2)5-8(20)16-6-11(12,13)14/h4H,3,5-6,15H2,1-2H3,(H,16,20)
InChIKeyNMKRLFJRPMHNPZ-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.24
Rot. Bonds5

About 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide (PubChem CID 65357311) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide
PubChem CID65357311
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H16F3N5O2/c1-3-19-9(7(15)4-17-19)10(21)18(2)5-8(20)16-6-11(12,13)14/h4H,3,5-6,15H2,1-2H3,(H,16,20)
InChIKeyNMKRLFJRPMHNPZ-UHFFFAOYSA-N
XLogP0.24
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide (CID 65357311) is 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide?
The InChIKey is NMKRLFJRPMHNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-3-19-9(7(15)4-17-19)10(21)18(2)5-8(20)16-6-11(12,13)14/h4H,3,5-6,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65357311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).