(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

C12H17F3N4O — CID 124686153

IUPAC(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@H]1CCCN1
InChIInChI=1S/C12H17F3N4O/c1-18(11(20)9-4-3-5-16-9)6-8-7-19(2)17-10(8)12(13,14)15/h7,9,16H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyGMSORKXSSHTHFZ-SECBINFHSA-N
MW290.29 g/mol
LogP1.15
Rot. Bonds3

About (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124686153) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID124686153
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@H]1CCCN1
InChIInChI=1S/C12H17F3N4O/c1-18(11(20)9-4-3-5-16-9)6-8-7-19(2)17-10(8)12(13,14)15/h7,9,16H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyGMSORKXSSHTHFZ-SECBINFHSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551
trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008737
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
4-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]butanoic acid
CID 119998435
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
CID 97341719
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
N-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 119893081

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 124686153) is (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is GMSORKXSSHTHFZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18(11(20)9-4-3-5-16-9)6-8-7-19(2)17-10(8)12(13,14)15/h7,9,16H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124686153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).