trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide

C32H34N4O2 — CID 92993597

About trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 92993597) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide
• PubChem CID: 92993597
• Molecular Formula: C32H34N4O2
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.27
• IUPAC Name: trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide
• SMILES: CCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C32H34N4O2/c1-2-3-13-20-35(32(38)28-21-27(28)24-14-7-4-8-15-24)23-31(37)33-30-22-29(25-16-9-5-10-17-25)34-36(30)26-18-11-6-12-19-26/h4-12,14-19,22,27-28H,2-3,13,20-21,23H2,1H3,(H,33,37)/t27-,28+/m0/s1
• InChIKey: OIHGTFLSOGAFGO-WUFINQPMSA-N
• XLogP: 6.30
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide (CID 92993597) is trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide is CCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccccc1.

What is the InChIKey of trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide?

The InChIKey is OIHGTFLSOGAFGO-WUFINQPMSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-2-3-13-20-35(32(38)28-21-27(28)24-14-7-4-8-15-24)23-31(37)33-30-22-29(25-16-9-5-10-17-25)34-36(30)26-18-11-6-12-19-26/h4-12,14-19,22,27-28H,2-3,13,20-21,23H2,1H3,(H,33,37)/t27-,28+/m0/s1.

What are the key properties of trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide?

trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 92993597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).