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

C22H27N7O — CID 47001565

IUPAC4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1
InChIInChI=1S/C22H27N7O/c1-4-18-5-7-19(8-6-18)23-22(30)28-13-11-27(12-14-28)20-9-10-21(25-24-20)29-17(3)15-16(2)26-29/h5-10,15H,4,11-14H2,1-3H3,(H,23,30)
InChIKeyNLFOHVVOFCLZMN-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.20
Rot. Bonds4

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

4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 47001565) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID47001565
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1
InChIInChI=1S/C22H27N7O/c1-4-18-5-7-19(8-6-18)23-22(30)28-13-11-27(12-14-28)20-9-10-21(25-24-20)29-17(3)15-16(2)26-29/h5-10,15H,4,11-14H2,1-3H3,(H,23,30)
InChIKeyNLFOHVVOFCLZMN-UHFFFAOYSA-N
XLogP3.20
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 50945027
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921616
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 16812679
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 56699956
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
2-(1,3-benzodioxol-5-yl)-1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122339269
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122339198
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 30868217

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 47001565) is 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1.
What is the InChIKey of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is NLFOHVVOFCLZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-4-18-5-7-19(8-6-18)23-22(30)28-13-11-27(12-14-28)20-9-10-21(25-24-20)29-17(3)15-16(2)26-29/h5-10,15H,4,11-14H2,1-3H3,(H,23,30).
What are the key properties of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).