N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride

C20H25ClN6O2 — CID 119525632

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119525632) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
• PubChem CID: 119525632
• Molecular Formula: C20H25ClN6O2
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.17
• IUPAC Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
• SMILES: Cc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1-c1ccc(=O)[nH]n1.Cl
• InChI: InChI=1S/C20H24N6O2.ClH/c1-12(2)14-4-6-15(7-5-14)17(21)11-22-20(28)16-10-23-26(13(16)3)18-8-9-19(27)25-24-18;/h4-10,12,17H,11,21H2,1-3H3,(H,22,28)(H,25,27);1H
• InChIKey: UDVYGJIDXXRLCO-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 118.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride?

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride (CID 119525632) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride?

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1-c1ccc(=O)[nH]n1.Cl.

What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride?

The InChIKey is UDVYGJIDXXRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.ClH/c1-12(2)14-4-6-15(7-5-14)17(21)11-22-20(28)16-10-23-26(13(16)3)18-8-9-19(27)25-24-18;/h4-10,12,17H,11,21H2,1-3H3,(H,22,28)(H,25,27);1H.

What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride?

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119525632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).