1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide

C26H30ClN5O3 — CID 74798288

About 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide (PubChem CID 74798288) has the molecular formula C26H30ClN5O3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide
• PubChem CID: 74798288
• Molecular Formula: C26H30ClN5O3
• Molecular Weight: 496.01 g/mol
• Exact Mass: 495.20
• IUPAC Name: 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide
• SMILES: CCC1C(=O)NC(n2nc(-c3ccco3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)NC1C
• InChI: InChI=1S/C26H30ClN5O3/c1-3-19-16(2)28-25(30-23(19)33)32-22(15-20(31-32)21-7-6-14-35-21)29-24(34)26(12-4-5-13-26)17-8-10-18(27)11-9-17/h6-11,14-16,19,25,28H,3-5,12-13H2,1-2H3,(H,29,34)(H,30,33)
• InChIKey: SIQRVCOPPQUWCU-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 101.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.01
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide (CID 74798288) is 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide is CCC1C(=O)NC(n2nc(-c3ccco3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)NC1C.

What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide?

The InChIKey is SIQRVCOPPQUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3/c1-3-19-16(2)28-25(30-23(19)33)32-22(15-20(31-32)21-7-6-14-35-21)29-24(34)26(12-4-5-13-26)17-8-10-18(27)11-9-17/h6-11,14-16,19,25,28H,3-5,12-13H2,1-2H3,(H,29,34)(H,30,33).

What are the key properties of 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide has a molecular weight of 496.01 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 74798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).