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

C17H16ClN5O3 — CID 47042782

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

N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 47042782) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
• PubChem CID: 47042782
• Molecular Formula: C17H16ClN5O3
• Molecular Weight: 373.80 g/mol
• Exact Mass: 373.09
• IUPAC Name: N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
• SMILES: COc1ccc(Cl)cc1CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C
• InChI: InChI=1S/C17H16ClN5O3/c1-10-13(9-20-23(10)15-5-6-16(24)22-21-15)17(25)19-8-11-7-12(18)3-4-14(11)26-2/h3-7,9H,8H2,1-2H3,(H,19,25)(H,22,24)
• InChIKey: MQGWFIAQRXMTSE-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.80
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 47042782) is N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is COc1ccc(Cl)cc1CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C.

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

The InChIKey is MQGWFIAQRXMTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-10-13(9-20-23(10)15-5-6-16(24)22-21-15)17(25)19-8-11-7-12(18)3-4-14(11)26-2/h3-7,9H,8H2,1-2H3,(H,19,25)(H,22,24).

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

N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 47042782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).