(3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H31N5O2 — CID 92590867

About (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92590867) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92590867
• Molecular Formula: C26H31N5O2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.25
• IUPAC Name: (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccn(C)n2)C1
• InChI: InChI=1S/C26H31N5O2/c1-4-30(5-2)25(33)26(12-15-31(19-26)24(32)23-11-14-29(3)28-23)17-20-8-6-9-21(16-20)22-10-7-13-27-18-22/h6-11,13-14,16,18H,4-5,12,15,17,19H2,1-3H3/t26-/m0/s1
• InChIKey: GEQKZTCGWJXDNU-SANMLTNESA-N
• XLogP: 3.43
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92590867) is (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccn(C)n2)C1.

What is the InChIKey of (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is GEQKZTCGWJXDNU-SANMLTNESA-N. The full InChI is InChI=1S/C26H31N5O2/c1-4-30(5-2)25(33)26(12-15-31(19-26)24(32)23-11-14-29(3)28-23)17-20-8-6-9-21(16-20)22-10-7-13-27-18-22/h6-11,13-14,16,18H,4-5,12,15,17,19H2,1-3H3/t26-/m0/s1.

What are the key properties of (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

(3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92590867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).