3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide

C25H33N5O2 — CID 74801890

About 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide

3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide (PubChem CID 74801890) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide
• PubChem CID: 74801890
• Molecular Formula: C25H33N5O2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.26
• IUPAC Name: 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide
• SMILES: O=C(CCC1CCCCC1)Nc1cc(C2CC2)nn1C1NC(=O)CC(c2ccccc2)N1
• InChI: InChI=1S/C25H33N5O2/c31-23(14-11-17-7-3-1-4-8-17)27-22-15-21(19-12-13-19)29-30(22)25-26-20(16-24(32)28-25)18-9-5-2-6-10-18/h2,5-6,9-10,15,17,19-20,25-26H,1,3-4,7-8,11-14,16H2,(H,27,31)(H,28,32)
• InChIKey: ZYKAXWUCTZRXKD-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide?

The IUPAC name of 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide (CID 74801890) is 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide.

What is the SMILES notation for 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide?

The canonical SMILES for 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide is O=C(CCC1CCCCC1)Nc1cc(C2CC2)nn1C1NC(=O)CC(c2ccccc2)N1.

What is the InChIKey of 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide?

The InChIKey is ZYKAXWUCTZRXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-23(14-11-17-7-3-1-4-8-17)27-22-15-21(19-12-13-19)29-30(22)25-26-20(16-24(32)28-25)18-9-5-2-6-10-18/h2,5-6,9-10,15,17,19-20,25-26H,1,3-4,7-8,11-14,16H2,(H,27,31)(H,28,32).

What are the key properties of 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide?

3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 435.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 74801890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).