N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C15H19N5O3S — CID 56757813

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56757813) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 56757813
• Molecular Formula: C15H19N5O3S
• Molecular Weight: 349.42 g/mol
• Exact Mass: 349.12
• IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
• SMILES: CC(C)c1nccn1Cc1cc(C(=O)NC2C=CS(=O)(=O)C2)n[nH]1
• InChI: InChI=1S/C15H19N5O3S/c1-10(2)14-16-4-5-20(14)8-12-7-13(19-18-12)15(21)17-11-3-6-24(22,23)9-11/h3-7,10-11H,8-9H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: UFSOCDPDNJTHRN-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.42
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56757813) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NC2C=CS(=O)(=O)C2)n[nH]1.

What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?

The InChIKey is UFSOCDPDNJTHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-10(2)14-16-4-5-20(14)8-12-7-13(19-18-12)15(21)17-11-3-6-24(22,23)9-11/h3-7,10-11H,8-9H2,1-2H3,(H,17,21)(H,18,19).

What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56757813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).