4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide

C20H25BrClN5O2 — CID 59773493

About 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 59773493) has the molecular formula C20H25BrClN5O2 and a molecular weight of 482.81 g/mol. Its IUPAC name is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 59773493
• Molecular Formula: C20H25BrClN5O2
• Molecular Weight: 482.81 g/mol
• Exact Mass: 481.09
• IUPAC Name: 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
• SMILES: CC(CC1CCN(C)CC1)NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br
• InChI: InChI=1S/C20H25BrClN5O2/c1-12(11-13-7-9-27(2)10-8-13)23-20(29)17-16(21)18(26-25-17)24-19(28)14-5-3-4-6-15(14)22/h3-6,12-13H,7-11H2,1-2H3,(H,23,29)(H2,24,25,26,28)
• InChIKey: WAZRYHPJEWLXRI-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.81
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 59773493) is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide is CC(CC1CCN(C)CC1)NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br.

What is the InChIKey of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is WAZRYHPJEWLXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrClN5O2/c1-12(11-13-7-9-27(2)10-8-13)23-20(29)17-16(21)18(26-25-17)24-19(28)14-5-3-4-6-15(14)22/h3-6,12-13H,7-11H2,1-2H3,(H,23,29)(H2,24,25,26,28).

What are the key properties of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 482.81 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59773493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).