2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole

C₃₇H₅₄N₈O₅ — CID 145062462

About 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole

2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole (PubChem CID 145062462) has the molecular formula C₃₇H₅₄N₈O₅ and a molecular weight of 690.89 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

• Compound Name: 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
• PubChem CID: 145062462
• Molecular Formula: C₃₇H₅₄N₈O₅
• Molecular Weight: 690.89 g/mol
• Exact Mass: 690.42
• IUPAC Name: 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
• SMILES: CC1CC1C(=O)NC1CCN(C=O)C1.CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.Cc1cc(C(C)C)n[nH]1
• InChI: InChI=1S/C20H26N4O3.C10H16N2O2.C7H12N2/c1-4-27-18-8-6-5-7-15(18)19(25)21-14-9-10-24(12-14)20(26)17-11-16(13(2)3)22-23-17;1-7-4-9(7)10(14)11-8-2-3-12(5-8)6-13;1-5(2)7-4-6(3)8-9-7/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,25)(H,22,23);6-9H,2-5H2,1H3,(H,11,14);4-5H,1-3H3,(H,8,9)
• InChIKey: VJWPKXNSCMYOFU-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 165.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.89
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?

The IUPAC name of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole (CID 145062462) is 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole.

What is the SMILES notation for 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?

The canonical SMILES for 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole is CC1CC1C(=O)NC1CCN(C=O)C1.CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.Cc1cc(C(C)C)n[nH]1.

What is the InChIKey of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?

The InChIKey is VJWPKXNSCMYOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.C10H16N2O2.C7H12N2/c1-4-27-18-8-6-5-7-15(18)19(25)21-14-9-10-24(12-14)20(26)17-11-16(13(2)3)22-23-17;1-7-4-9(7)10(14)11-8-2-3-12(5-8)6-13;1-5(2)7-4-6(3)8-9-7/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,25)(H,22,23);6-9H,2-5H2,1H3,(H,11,14);4-5H,1-3H3,(H,8,9).

What are the key properties of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole?

2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 690.89 g/mol, XLogP of 4.41, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 145062462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145062462 — identifiers, structure, computed properties (public domain)

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