4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide

C17H26N6O2 — CID 154788525

About 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide

4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 154788525) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide
• PubChem CID: 154788525
• Molecular Formula: C17H26N6O2
• Molecular Weight: 346.44 g/mol
• Exact Mass: 346.21
• IUPAC Name: 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide
• SMILES: Cc1cnc(CNC(=O)c2nn(C)cc2CN2CCC(N(C)C)C2)o1
• InChI: InChI=1S/C17H26N6O2/c1-12-7-18-15(25-12)8-19-17(24)16-13(9-22(4)20-16)10-23-6-5-14(11-23)21(2)3/h7,9,14H,5-6,8,10-11H2,1-4H3,(H,19,24)
• InChIKey: BOHIETUTHXAZOE-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 79.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.44
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide (CID 154788525) is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide is Cc1cnc(CNC(=O)c2nn(C)cc2CN2CCC(N(C)C)C2)o1.

What is the InChIKey of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide?

The InChIKey is BOHIETUTHXAZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12-7-18-15(25-12)8-19-17(24)16-13(9-22(4)20-16)10-23-6-5-14(11-23)21(2)3/h7,9,14H,5-6,8,10-11H2,1-4H3,(H,19,24).

What are the key properties of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide?

4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 154788525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).