3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

C17H18F3N5O3 — CID 67773318

IUPAC3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESCn1nc(C(=O)N2CCCC2COc2cccnc2C(N)=O)cc1C(F)(F)F
InChIInChI=1S/C17H18F3N5O3/c1-24-13(17(18,19)20)8-11(23-24)16(27)25-7-3-4-10(25)9-28-12-5-2-6-22-14(12)15(21)26/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,21,26)
InChIKeyCFLIHUWEZCXSQW-UHFFFAOYSA-N
MW397.36 g/mol
LogP1.62
Rot. Bonds5

About 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 67773318) has the molecular formula C17H18F3N5O3 and a molecular weight of 397.36 g/mol. Its IUPAC name is 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID67773318
Molecular FormulaC17H18F3N5O3
Molecular Weight397.36 g/mol
Exact Mass397.14
IUPAC Name3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESCn1nc(C(=O)N2CCCC2COc2cccnc2C(N)=O)cc1C(F)(F)F
InChIInChI=1S/C17H18F3N5O3/c1-24-13(17(18,19)20)8-11(23-24)16(27)25-7-3-4-10(25)9-28-12-5-2-6-22-14(12)15(21)26/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,21,26)
InChIKeyCFLIHUWEZCXSQW-UHFFFAOYSA-N
XLogP1.62
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66961825
tert-butyl (2R)-2-[(2-carbamoyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66961823
3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67774418
N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67773123
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 94080690
[2-(furan-2-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 20895623
N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66962144
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 93064592
(1,5-dimethylpyrazol-4-yl)-[2-[(2-methyl-3-pyridinyl)oxymethyl]pyrrolidin-1-yl]methanone
CID 136548080
2-[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]azepan-4-yl]acetamide
CID 138008808
(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 174187814
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 22586646

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 67773318) is 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is Cn1nc(C(=O)N2CCCC2COc2cccnc2C(N)=O)cc1C(F)(F)F.
What is the InChIKey of 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is CFLIHUWEZCXSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3/c1-24-13(17(18,19)20)8-11(23-24)16(27)25-7-3-4-10(25)9-28-12-5-2-6-22-14(12)15(21)26/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,21,26).
What are the key properties of 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 67773318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).