3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C24H27ClN6O2 — CID 23630512

About 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 23630512) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 23630512
• Molecular Formula: C24H27ClN6O2
• Molecular Weight: 466.97 g/mol
• Exact Mass: 466.19
• IUPAC Name: 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
• SMILES: Cc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)NCCC1CCN(c2ccncc2)CC1
• InChI: InChI=1S/C24H27ClN6O2/c1-16-21(29-30-22(16)28-23(32)19-4-2-3-5-20(19)25)24(33)27-13-6-17-9-14-31(15-10-17)18-7-11-26-12-8-18/h2-5,7-8,11-12,17H,6,9-10,13-15H2,1H3,(H,27,33)(H2,28,29,30,32)
• InChIKey: ZSIPLKUUXBKNRJ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.97
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 23630512) is 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is Cc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)NCCC1CCN(c2ccncc2)CC1.

What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?

The InChIKey is ZSIPLKUUXBKNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-16-21(29-30-22(16)28-23(32)19-4-2-3-5-20(19)25)24(33)27-13-6-17-9-14-31(15-10-17)18-7-11-26-12-8-18/h2-5,7-8,11-12,17H,6,9-10,13-15H2,1H3,(H,27,33)(H2,28,29,30,32).

What are the key properties of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?

3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23630512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).