4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C18H24N4O2S — CID 166351781

About 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide

4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 166351781) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 166351781
• Molecular Formula: C18H24N4O2S
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.16
• IUPAC Name: 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
• SMILES: Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C
• InChI: InChI=1S/C18H24N4O2S/c1-10(2)14-8-15(21-20-14)18(24)22-6-5-13(9-22)19-17(23)16-7-11(3)12(4)25-16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,23)(H,20,21)
• InChIKey: CKRXJLDGNYVIGG-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 166351781) is 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C.

What is the InChIKey of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?

The InChIKey is CKRXJLDGNYVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-10(2)14-8-15(21-20-14)18(24)22-6-5-13(9-22)19-17(23)16-7-11(3)12(4)25-16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,23)(H,20,21).

What are the key properties of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?

4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 166351781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).