N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H19F3N4O — CID 51087572

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-3-20-6-4-5-9(20)7-17-12(21)10-8-19(2)18-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyNMWNIZDCCZCZGT-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.65
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51087572) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51087572
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-3-20-6-4-5-9(20)7-17-12(21)10-8-19(2)18-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyNMWNIZDCCZCZGT-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 51087572) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NMWNIZDCCZCZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-20-6-4-5-9(20)7-17-12(21)10-8-19(2)18-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51087572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).