1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H16ClN5O2 — CID 32607122

IUPAC1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)Nc3cnn(C)c3)CCC2=O)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-10-3-4-12(7-13(10)17)22-15(23)6-5-14(20-22)16(24)19-11-8-18-21(2)9-11/h3-4,7-9H,5-6H2,1-2H3,(H,19,24)
InChIKeyYZDJIXTUNWYXHP-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.50
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 32607122) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID32607122
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)Nc3cnn(C)c3)CCC2=O)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-10-3-4-12(7-13(10)17)22-15(23)6-5-14(20-22)16(24)19-11-8-18-21(2)9-11/h3-4,7-9H,5-6H2,1-2H3,(H,19,24)
InChIKeyYZDJIXTUNWYXHP-UHFFFAOYSA-N
XLogP2.50
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16591096
1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
CID 17454351
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16591043
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16593661
1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47031142
1-(3-chloro-4-methylphenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16594920
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16600449
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43064051
2-(3-chloro-4-methylphenyl)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 16961764
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 32607122) is 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(N2N=C(C(=O)Nc3cnn(C)c3)CCC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YZDJIXTUNWYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-10-3-4-12(7-13(10)17)22-15(23)6-5-14(20-22)16(24)19-11-8-18-21(2)9-11/h3-4,7-9H,5-6H2,1-2H3,(H,19,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 32607122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).