1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide

C20H24ClN3O2 — CID 71808503

About 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 71808503) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide
• PubChem CID: 71808503
• Molecular Formula: C20H24ClN3O2
• Molecular Weight: 373.88 g/mol
• Exact Mass: 373.16
• IUPAC Name: 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide
• SMILES: Cn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1CCOC2
• InChI: InChI=1S/C20H24ClN3O2/c1-24-18-8-11-26-13-16(18)17(23-24)12-22-19(25)20(9-2-3-10-20)14-4-6-15(21)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,22,25)
• InChIKey: PVGAJFRCNJMWQI-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.88
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 71808503) is 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide is Cn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1CCOC2.

What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

The InChIKey is PVGAJFRCNJMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-24-18-8-11-26-13-16(18)17(23-24)12-22-19(25)20(9-2-3-10-20)14-4-6-15(21)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,22,25).

What are the key properties of 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71808503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).