N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide

C14H8Cl3N5O — CID 99123185

IUPACN-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H8Cl3N5O/c15-9-2-1-8(7-10(9)16)22-6-5-11(21-22)14(23)18-13-4-3-12(17)19-20-13/h1-7H,(H,18,20,23)
InChIKeyQUPPHJJLZDURFJ-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.87
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide

N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide (PubChem CID 99123185) has the molecular formula C14H8Cl3N5O and a molecular weight of 368.61 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
PubChem CID99123185
Molecular FormulaC14H8Cl3N5O
Molecular Weight368.61 g/mol
Exact Mass366.98
IUPAC NameN-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H8Cl3N5O/c15-9-2-1-8(7-10(9)16)22-6-5-11(21-22)14(23)18-13-4-3-12(17)19-20-13/h1-7H,(H,18,20,23)
InChIKeyQUPPHJJLZDURFJ-UHFFFAOYSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119220055
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780401
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
3-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228450
N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119582677
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
1-(3-chloro-4-nitrophenyl)pyrazole-3-carboxylic acid
CID 82864853
4-[4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]benzamide
CID 86969138
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide (CID 99123185) is N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc(Cl)nn1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is QUPPHJJLZDURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N5O/c15-9-2-1-8(7-10(9)16)22-6-5-11(21-22)14(23)18-13-4-3-12(17)19-20-13/h1-7H,(H,18,20,23).
What are the key properties of N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 368.61 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 99123185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).