N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C12H15F3N4O — CID 164633193

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1nc[nH]c1C(F)(F)F
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)10-9(16-6-17-10)11(20)18-7-3-4-19(5-7)8-1-2-8/h6-8H,1-5H2,(H,16,17)(H,18,20)/t7-/m0/s1
InChIKeyQCZCAGLBKSFMMA-ZETCQYMHSA-N
MW288.27 g/mol
LogP1.39
Rot. Bonds3

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 164633193) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID164633193
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1nc[nH]c1C(F)(F)F
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)10-9(16-6-17-10)11(20)18-7-3-4-19(5-7)8-1-2-8/h6-8H,1-5H2,(H,16,17)(H,18,20)/t7-/m0/s1
InChIKeyQCZCAGLBKSFMMA-ZETCQYMHSA-N
XLogP1.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
CID 509073
N-(2-sulfanylethyl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 177680474
1H-Imidazole-4,5-dicarboxamide, N,N'-dibutyl-
CID 551896
N~4~-cyclohexyl-N~5~-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide
CID 46264335
N4-(Propan-2-YL)-N5-propyl-1H-imidazole-4,5-dicarboxamide
CID 46264394
N4-Cyclopropyl-N5-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 46264440
N4-(Cyclopropylmethyl)-N5-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
CID 46264452
N-[(1-isobutylpyrrolidin-3-yl)methyl]-4-methyl-1H-imidazole-5-carboxamide
CID 56722012
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1H-imidazole-5-carboxamide
CID 56870084
N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 125444421

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 164633193) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is O=C(N[C@H]1CCN(C2CC2)C1)c1nc[nH]c1C(F)(F)F.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is QCZCAGLBKSFMMA-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)10-9(16-6-17-10)11(20)18-7-3-4-19(5-7)8-1-2-8/h6-8H,1-5H2,(H,16,17)(H,18,20)/t7-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 164633193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).