6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C22H25N7O2 — CID 42793794

IUPAC6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(Cc1ccnn1-c1ccccc1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C22H25N7O2/c1-15-19(16(2)27(3)26-15)14-28(22(31)20-9-10-21(30)25-24-20)13-18-11-12-23-29(18)17-7-5-4-6-8-17/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,30)
InChIKeyHORLEWIGCRLJCU-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.02
Rot. Bonds6

About 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 42793794) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID42793794
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(Cc1ccnn1-c1ccccc1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C22H25N7O2/c1-15-19(16(2)27(3)26-15)14-28(22(31)20-9-10-21(30)25-24-20)13-18-11-12-23-29(18)17-7-5-4-6-8-17/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,30)
InChIKeyHORLEWIGCRLJCU-UHFFFAOYSA-N
XLogP2.02
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42794204
N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74245945
N-methyl-6-oxo-N-pyridin-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582825
5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-one
CID 105093132
N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397517
ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate
CID 171703972
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-5-methyl-N-[(2-phenylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 42791822
1-[(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8993801
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 22196628

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 42793794) is 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1nn(C)c(C)c1CN(Cc1ccnn1-c1ccccc1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HORLEWIGCRLJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-15-19(16(2)27(3)26-15)14-28(22(31)20-9-10-21(30)25-24-20)13-18-11-12-23-29(18)17-7-5-4-6-8-17/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,30).
What are the key properties of 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(2-phenylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42793794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).