4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide

C11H16F3N5O2 — CID 62082527

IUPAC4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)CC(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C11H16F3N5O2/c1-3-6-8(15)9(18-17-6)10(21)19(2)4-7(20)16-5-11(12,13)14/h3-5,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyMAHUOZYYQUQAJN-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.30
Rot. Bonds5

About 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 62082527) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID62082527
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)CC(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C11H16F3N5O2/c1-3-6-8(15)9(18-17-6)10(21)19(2)4-7(20)16-5-11(12,13)14/h3-5,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyMAHUOZYYQUQAJN-UHFFFAOYSA-N
XLogP0.30
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide (CID 62082527) is 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(C)CC(=O)NCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MAHUOZYYQUQAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-3-6-8(15)9(18-17-6)10(21)19(2)4-7(20)16-5-11(12,13)14/h3-5,15H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).