3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide

C16H16N4OS — CID 51495353

IUPAC3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](Cc1cccs1)NC(=O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-11(9-12-5-4-8-22-12)18-16(21)15-10-14(19-20-15)13-6-2-3-7-17-13/h2-8,10-11H,9H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyFNYXQSPGXHNHHL-NSHDSACASA-N
MW312.40 g/mol
LogP2.89
Rot. Bonds5

About 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide

3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 51495353) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID51495353
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](Cc1cccs1)NC(=O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-11(9-12-5-4-8-22-12)18-16(21)15-10-14(19-20-15)13-6-2-3-7-17-13/h2-8,10-11H,9H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyFNYXQSPGXHNHHL-NSHDSACASA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 51495354
3-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 46964419
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
N-(1-hydroxy-3-methylpentan-2-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821141
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91639146
N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 92612749

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide (CID 51495353) is 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide is C[C@@H](Cc1cccs1)NC(=O)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is FNYXQSPGXHNHHL-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11(9-12-5-4-8-22-12)18-16(21)15-10-14(19-20-15)13-6-2-3-7-17-13/h2-8,10-11H,9H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide?
3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51495353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).