N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C19H20ClN5O2 — CID 52790950

About N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 52790950) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
• PubChem CID: 52790950
• Molecular Formula: C19H20ClN5O2
• Molecular Weight: 385.86 g/mol
• Exact Mass: 385.13
• IUPAC Name: N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)NCC(C)(C)c2cccc(Cl)c2)cnn1-c1ccc(=O)[nH]n1
• InChI: InChI=1S/C19H20ClN5O2/c1-12-15(10-22-25(12)16-7-8-17(26)24-23-16)18(27)21-11-19(2,3)13-5-4-6-14(20)9-13/h4-10H,11H2,1-3H3,(H,21,27)(H,24,26)
• InChIKey: PNLIBXUMZABFMC-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.86
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?

The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 52790950) is N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?

The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)(C)c2cccc(Cl)c2)cnn1-c1ccc(=O)[nH]n1.

What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?

The InChIKey is PNLIBXUMZABFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12-15(10-22-25(12)16-7-8-17(26)24-23-16)18(27)21-11-19(2,3)13-5-4-6-14(20)9-13/h4-10H,11H2,1-3H3,(H,21,27)(H,24,26).

What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?

N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chlorophenyl)-2-methylpropyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 52790950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).