N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H15F3N4O — CID 65232052

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(2-4-15-6-10)9(19)17-3-1-8-5-16-7-18-8/h5,7,15H,1-4,6H2,(H,16,18)(H,17,19)
InChIKeyNCKCUWJPBMMSOO-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.61
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 65232052) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID65232052
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(2-4-15-6-10)9(19)17-3-1-8-5-16-7-18-8/h5,7,15H,1-4,6H2,(H,16,18)(H,17,19)
InChIKeyNCKCUWJPBMMSOO-UHFFFAOYSA-N
XLogP0.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106105031
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
CID 74237071
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164780
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106370810
N-[2-(1H-imidazol-5-yl)ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241368

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 65232052) is N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NCKCUWJPBMMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10(2-4-15-6-10)9(19)17-3-1-8-5-16-7-18-8/h5,7,15H,1-4,6H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65232052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).