N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane

C30H44N4O3 — CID 143130969

About N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane

N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane (PubChem CID 143130969) has the molecular formula C30H44N4O3 and a molecular weight of 508.71 g/mol. Its IUPAC name is N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane.

Molecular Properties

• Compound Name: N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane
• PubChem CID: 143130969
• Molecular Formula: C30H44N4O3
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.34
• IUPAC Name: N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane
• SMILES: C/C=C\OCc1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(CCCc1ccccc1)C2=O.CC
• InChI: InChI=1S/C28H38N4O3.C2H6/c1-3-18-35-20-24-19-25-26(33)31(17-11-14-22-12-7-6-8-13-22)28(2,21-32(25)30-24)27(34)29-23-15-9-4-5-10-16-23;1-2/h3,6-8,12-13,18-19,23H,4-5,9-11,14-17,20-21H2,1-2H3,(H,29,34);1-2H3/b18-3-
• InChIKey: WMVBNUYNXGIFEK-SWORNFRKSA-N
• XLogP: 5.65
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane?

The IUPAC name of N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane (CID 143130969) is N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane.

What is the SMILES notation for N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane?

The canonical SMILES for N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane is C/C=C\OCc1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(CCCc1ccccc1)C2=O.CC.

What is the InChIKey of N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane?

The InChIKey is WMVBNUYNXGIFEK-SWORNFRKSA-N. The full InChI is InChI=1S/C28H38N4O3.C2H6/c1-3-18-35-20-24-19-25-26(33)31(17-11-14-22-12-7-6-8-13-22)28(2,21-32(25)30-24)27(34)29-23-15-9-4-5-10-16-23;1-2/h3,6-8,12-13,18-19,23H,4-5,9-11,14-17,20-21H2,1-2H3,(H,29,34);1-2H3/b18-3-;.

What are the key properties of N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane?

N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane has a molecular weight of 508.71 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-6-methyl-4-oxo-5-(3-phenylpropyl)-2-[[(Z)-prop-1-enoxy]methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide;ethane is sourced from PubChem (CID 143130969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).