5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide

C13H16N4O2S — CID 129337305

IUPAC5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn[nH]c1[C@H]1CCOC1)c1nccs1
InChIInChI=1S/C13H16N4O2S/c1-8(13-14-3-5-20-13)16-12(18)10-6-15-17-11(10)9-2-4-19-7-9/h3,5-6,8-9H,2,4,7H2,1H3,(H,15,17)(H,16,18)/t8-,9-/m0/s1
InChIKeySBVSPZSEWFVTEU-IUCAKERBSA-N
MW292.36 g/mol
LogP1.86
Rot. Bonds4

About 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide

5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 129337305) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID129337305
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn[nH]c1[C@H]1CCOC1)c1nccs1
InChIInChI=1S/C13H16N4O2S/c1-8(13-14-3-5-20-13)16-12(18)10-6-15-17-11(10)9-2-4-19-7-9/h3,5-6,8-9H,2,4,7H2,1H3,(H,15,17)(H,16,18)/t8-,9-/m0/s1
InChIKeySBVSPZSEWFVTEU-IUCAKERBSA-N
XLogP1.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 129337305) is 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is C[C@H](NC(=O)c1cn[nH]c1[C@H]1CCOC1)c1nccs1.
What is the InChIKey of 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SBVSPZSEWFVTEU-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(13-14-3-5-20-13)16-12(18)10-6-15-17-11(10)9-2-4-19-7-9/h3,5-6,8-9H,2,4,7H2,1H3,(H,15,17)(H,16,18)/t8-,9-/m0/s1.
What are the key properties of 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-oxolan-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129337305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).