1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H19F3N6O2S — CID 25218482

IUPAC1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](N)C(=O)NCc1cc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccn2)cs1
InChIInChI=1S/C19H19F3N6O2S/c1-11(23)17(29)26-9-14-6-13(10-31-14)28-15(7-16(27-28)19(20,21)22)18(30)25-8-12-4-2-3-5-24-12/h2-7,10-11H,8-9,23H2,1H3,(H,25,30)(H,26,29)/t11-/m0/s1
InChIKeySEZBKGHSFWLPFK-NSHDSACASA-N
MW452.46 g/mol
LogP2.24
Rot. Bonds7

About 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 25218482) has the molecular formula C19H19F3N6O2S and a molecular weight of 452.46 g/mol. Its IUPAC name is 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID25218482
Molecular FormulaC19H19F3N6O2S
Molecular Weight452.46 g/mol
Exact Mass452.12
IUPAC Name1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](N)C(=O)NCc1cc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccn2)cs1
InChIInChI=1S/C19H19F3N6O2S/c1-11(23)17(29)26-9-14-6-13(10-31-14)28-15(7-16(27-28)19(20,21)22)18(30)25-8-12-4-2-3-5-24-12/h2-7,10-11H,8-9,23H2,1H3,(H,25,30)(H,26,29)/t11-/m0/s1
InChIKeySEZBKGHSFWLPFK-NSHDSACASA-N
XLogP2.24
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
N2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}thiophene-2-carboxamide
CID 2809248
US9586948, Example 22
CID 117872182
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 145967573
US9776991, Example 13
CID 139208211
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052
5-methyl-2-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 5214853
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24982756
1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-2-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 44591444
N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide
CID 52935193

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 25218482) is 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@H](N)C(=O)NCc1cc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccn2)cs1.
What is the InChIKey of 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is SEZBKGHSFWLPFK-NSHDSACASA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c1-11(23)17(29)26-9-14-6-13(10-31-14)28-15(7-16(27-28)19(20,21)22)18(30)25-8-12-4-2-3-5-24-12/h2-7,10-11H,8-9,23H2,1H3,(H,25,30)(H,26,29)/t11-/m0/s1.
What are the key properties of 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-3-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 25218482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).