5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide

C14H17N3O2S — CID 129472917

IUPAC5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn[nH]c1[C@@H]1CCOC1)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-9(12-3-2-6-20-12)16-14(18)11-7-15-17-13(11)10-4-5-19-8-10/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,17)(H,16,18)/t9-,10-/m1/s1
InChIKeyZCWYGPRQGOLTKN-NXEZZACHSA-N
MW291.38 g/mol
LogP2.47
Rot. Bonds4

About 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide

5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 129472917) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
PubChem CID129472917
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn[nH]c1[C@@H]1CCOC1)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-9(12-3-2-6-20-12)16-14(18)11-7-15-17-13(11)10-4-5-19-8-10/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,17)(H,16,18)/t9-,10-/m1/s1
InChIKeyZCWYGPRQGOLTKN-NXEZZACHSA-N
XLogP2.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129337305
N-(dicyclopropylmethyl)-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129471954
N-[(2R)-1-(4-methylphenyl)sulfanylpropan-2-yl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 125138417
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 128968053
N-(1-methylsulfanylbutan-2-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129001193
5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 139007445
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129000622
5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129474098
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472298
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128968081
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide (CID 129472917) is 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn[nH]c1[C@@H]1CCOC1)c1cccs1.
What is the InChIKey of 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZCWYGPRQGOLTKN-NXEZZACHSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(12-3-2-6-20-12)16-14(18)11-7-15-17-13(11)10-4-5-19-8-10/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,17)(H,16,18)/t9-,10-/m1/s1.
What are the key properties of 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129472917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).