1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

C26H29ClN4O — CID 90556044

About 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 90556044) has the molecular formula C26H29ClN4O and a molecular weight of 449.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
• PubChem CID: 90556044
• Molecular Formula: C26H29ClN4O
• Molecular Weight: 449.00 g/mol
• Exact Mass: 448.20
• IUPAC Name: 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
• SMILES: O=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1
• InChI: InChI=1S/C26H29ClN4O/c27-20-12-10-19(11-13-20)26(14-4-5-15-26)25(32)29-18-21-17-24(23-9-3-6-16-28-23)31(30-21)22-7-1-2-8-22/h3,6,9-13,16-17,22H,1-2,4-5,7-8,14-15,18H2,(H,29,32)
• InChIKey: FYGHKTDKVZKDCE-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.00
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 90556044) is 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is O=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

The InChIKey is FYGHKTDKVZKDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O/c27-20-12-10-19(11-13-20)26(14-4-5-15-26)25(32)29-18-21-17-24(23-9-3-6-16-28-23)31(30-21)22-7-1-2-8-22/h3,6,9-13,16-17,22H,1-2,4-5,7-8,14-15,18H2,(H,29,32).

What are the key properties of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 449.00 g/mol, XLogP of 5.84, 6 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-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 90556044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).