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

C14H18N4O2S — CID 129477803

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

N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 129477803) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 129477803
• Molecular Formula: C14H18N4O2S
• Molecular Weight: 306.39 g/mol
• Exact Mass: 306.12
• IUPAC Name: N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
• SMILES: CN(CCc1nccs1)C(=O)c1cn[nH]c1[C@H]1CCOC1
• InChI: InChI=1S/C14H18N4O2S/c1-18(5-2-12-15-4-7-21-12)14(19)11-8-16-17-13(11)10-3-6-20-9-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,16,17)/t10-/m0/s1
• InChIKey: YOVXFGZZVRHLQV-JTQLQIEISA-N
• XLogP: 1.68
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.39
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 129477803) is N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is CN(CCc1nccs1)C(=O)c1cn[nH]c1[C@H]1CCOC1.

What is the InChIKey of N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

The InChIKey is YOVXFGZZVRHLQV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(5-2-12-15-4-7-21-12)14(19)11-8-16-17-13(11)10-3-6-20-9-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,16,17)/t10-/m0/s1.

What are the key properties of N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).