N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H17F3N4O — CID 63710043

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H17F3N4O/c1-18-6-5-17-9(18)7-19(2)10(20)11(12(13,14)15)3-4-16-8-11/h5-6,16H,3-4,7-8H2,1-2H3
InChIKeyVJKWDUNJNIJOIF-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.92
Rot. Bonds3

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710043) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710043
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H17F3N4O/c1-18-6-5-17-9(18)7-19(2)10(20)11(12(13,14)15)3-4-16-8-11/h5-6,16H,3-4,7-8H2,1-2H3
InChIKeyVJKWDUNJNIJOIF-UHFFFAOYSA-N
XLogP0.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710043) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(Cc1nccn1C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VJKWDUNJNIJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-6-5-17-9(18)7-19(2)10(20)11(12(13,14)15)3-4-16-8-11/h5-6,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).