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

C12H15F3N4O — CID 138034207

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCN(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)
InChIKeyQCZCAGLBKSFMMA-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.39
Rot. Bonds3

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

N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 138034207) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID138034207
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCN(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)
InChIKeyQCZCAGLBKSFMMA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 138034207) is N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is O=C(NC1CCN(C2CC2)C1)c1nc[nH]c1C(F)(F)F.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is QCZCAGLBKSFMMA-UHFFFAOYSA-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).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-(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-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138034207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).