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

C17H18F3N5O2 — CID 126787082

IUPAC(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)c(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O2/c1-24-10-11(14(23-24)17(18,19)20)9-22-15(26)13-6-4-8-25(13)16(27)12-5-2-3-7-21-12/h2-3,5,7,10,13H,4,6,8-9H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyDMOIYDDRMNUAEZ-ZDUSSCGKSA-N
MW381.36 g/mol
LogP1.75
Rot. Bonds4

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

(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 126787082) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID126787082
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)c(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O2/c1-24-10-11(14(23-24)17(18,19)20)9-22-15(26)13-6-4-8-25(13)16(27)12-5-2-3-7-21-12/h2-3,5,7,10,13H,4,6,8-9H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyDMOIYDDRMNUAEZ-ZDUSSCGKSA-N
XLogP1.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110371599
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798830
1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[1-(pyridine-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980722
2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 71988037
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
1-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008847

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide (CID 126787082) is (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide is Cn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)c(C(F)(F)F)n1.
What is the InChIKey of (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is DMOIYDDRMNUAEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-24-10-11(14(23-24)17(18,19)20)9-22-15(26)13-6-4-8-25(13)16(27)12-5-2-3-7-21-12/h2-3,5,7,10,13H,4,6,8-9H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126787082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).