N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C12H15F3N4O2 — CID 138034756

IUPACN-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-2-8(20)19-4-3-7(5-19)18-11(21)9-10(12(13,14)15)17-6-16-9/h6-7H,2-5H2,1H3,(H,16,17)(H,18,21)
InChIKeySFNNHRFZBDGYAH-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.17
Rot. Bonds3

About N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 138034756) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID138034756
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-2-8(20)19-4-3-7(5-19)18-11(21)9-10(12(13,14)15)17-6-16-9/h6-7H,2-5H2,1H3,(H,16,17)(H,18,21)
InChIKeySFNNHRFZBDGYAH-UHFFFAOYSA-N
XLogP1.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethimizol
CID 6168
N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
CID 101504
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
4-N,4-N,5-N,5-N-tetraethyl-1H-imidazole-4,5-dicarboxamide
CID 44141956
5-(3-methylbut-2-enyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione
CID 85913694
Desmethyletimizol
CID 130883
5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
CID 509073
5-(2-piperidin-1-ylethyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione
CID 44564742
N-(2-sulfanylethyl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 177680474
Propylnorantifein
CID 160681
5-methyl-N-(2-sulfanylethyl)-1H-imidazole-4-carboxamide
CID 177680463
1H-Imidazole-4,5-dicarboxamide, N,N'-dibutyl-
CID 551896

Frequently Asked Questions

What is the IUPAC name of N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 138034756) is N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CCC(=O)N1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)C1.
What is the InChIKey of N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is SFNNHRFZBDGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-2-8(20)19-4-3-7(5-19)18-11(21)9-10(12(13,14)15)17-6-16-9/h6-7H,2-5H2,1H3,(H,16,17)(H,18,21).
What are the key properties of N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138034756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).