5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide

C22H18ClN5O3 — CID 71697666

IUPAC5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(OC)nn3)n2)cc1
InChIInChI=1S/C22H18ClN5O3/c1-30-17-9-7-16(8-10-17)24-22(29)18-13-19(14-3-5-15(23)6-4-14)28(27-18)20-11-12-21(31-2)26-25-20/h3-13H,1-2H3,(H,24,29)
InChIKeyQIGWPECKSYEXGK-UHFFFAOYSA-N
MW435.87 g/mol
LogP4.25
Rot. Bonds6

About 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide (PubChem CID 71697666) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
PubChem CID71697666
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC Name5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(OC)nn3)n2)cc1
InChIInChI=1S/C22H18ClN5O3/c1-30-17-9-7-16(8-10-17)24-22(29)18-13-19(14-3-5-15(23)6-4-14)28(27-18)20-11-12-21(31-2)26-25-20/h3-13H,1-2H3,(H,24,29)
InChIKeyQIGWPECKSYEXGK-UHFFFAOYSA-N
XLogP4.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide (CID 71697666) is 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(OC)nn3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
The InChIKey is QIGWPECKSYEXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c1-30-17-9-7-16(8-10-17)24-22(29)18-13-19(14-3-5-15(23)6-4-14)28(27-18)20-11-12-21(31-2)26-25-20/h3-13H,1-2H3,(H,24,29).
What are the key properties of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide has a molecular weight of 435.87 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 71697666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).