1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide

C16H21N3O2S — CID 129471970

IUPAC1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
SMILESC[C@H](Cc1cccs1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1
InChIInChI=1S/C16H21N3O2S/c1-11(8-13-4-3-7-22-13)17-16(20)14-9-19(2)18-15(14)12-5-6-21-10-12/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyGQYXDBNKGXRCTF-VXGBXAGGSA-N
MW319.43 g/mol
LogP2.35
Rot. Bonds5

About 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide

1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide (PubChem CID 129471970) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
PubChem CID129471970
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
SMILESC[C@H](Cc1cccs1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1
InChIInChI=1S/C16H21N3O2S/c1-11(8-13-4-3-7-22-13)17-16(20)14-9-19(2)18-15(14)12-5-6-21-10-12/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyGQYXDBNKGXRCTF-VXGBXAGGSA-N
XLogP2.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
CID 129477879
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 115330850
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 63296076
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide (CID 129471970) is 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide is C[C@H](Cc1cccs1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1.
What is the InChIKey of 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide?
The InChIKey is GQYXDBNKGXRCTF-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(8-13-4-3-7-22-13)17-16(20)14-9-19(2)18-15(14)12-5-6-21-10-12/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide?
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129471970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).