4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

C21H25N7O2 — CID 16812679

IUPAC4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1
InChIInChI=1S/C21H25N7O2/c1-15-13-16(2)28(25-15)20-8-7-19(23-24-20)26-9-11-27(12-10-26)21(29)22-17-5-4-6-18(14-17)30-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,29)
InChIKeyCZYBPUICLUPAIF-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.64
Rot. Bonds4

About 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 16812679) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID16812679
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1
InChIInChI=1S/C21H25N7O2/c1-15-13-16(2)28(25-15)20-8-7-19(23-24-20)26-9-11-27(12-10-26)21(29)22-17-5-4-6-18(14-17)30-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,29)
InChIKeyCZYBPUICLUPAIF-UHFFFAOYSA-N
XLogP2.64
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 50945027
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 47001565
4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 30868217
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122339233
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
N-(3-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 22585362
N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50947804
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 16812679) is 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1.
What is the InChIKey of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CZYBPUICLUPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-15-13-16(2)28(25-15)20-8-7-19(23-24-20)26-9-11-27(12-10-26)21(29)22-17-5-4-6-18(14-17)30-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,29).
What are the key properties of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 16812679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).