N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C19H21N7O3 — CID 146090293

IUPACN-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)cc1NC(=O)N(C)C
InChIInChI=1S/C19H21N7O3/c1-11-5-6-13(9-15(11)22-19(29)25(3)4)21-18(28)14-10-20-26(12(14)2)16-7-8-17(27)24-23-16/h5-10H,1-4H3,(H,21,28)(H,22,29)(H,24,27)
InChIKeyHDEAUNVHMCBOLU-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.92
Rot. Bonds4

About N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 146090293) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID146090293
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC NameN-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)cc1NC(=O)N(C)C
InChIInChI=1S/C19H21N7O3/c1-11-5-6-13(9-15(11)22-19(29)25(3)4)21-18(28)14-10-20-26(12(14)2)16-7-8-17(27)24-23-16/h5-10H,1-4H3,(H,21,28)(H,22,29)(H,24,27)
InChIKeyHDEAUNVHMCBOLU-UHFFFAOYSA-N
XLogP1.92
TPSA125.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylcarbamoylamino)-2-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 167868860
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5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
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CID 24671988
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CID 24675685
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
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5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 146088618
methyl 2-[[3-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]amino]phenyl]methylsulfanyl]acetate
CID 138046051
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 24674521
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide
CID 167968258
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 146090293) is N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)cc1NC(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is HDEAUNVHMCBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-11-5-6-13(9-15(11)22-19(29)25(3)4)21-18(28)14-10-20-26(12(14)2)16-7-8-17(27)24-23-16/h5-10H,1-4H3,(H,21,28)(H,22,29)(H,24,27).
What are the key properties of N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 146090293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).