N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide

C17H19N5O2 — CID 24551561

IUPACN,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C17H19N5O2/c1-20(17(24)15-8-9-16(23)21(2)19-15)11-13-10-18-22(12-13)14-6-4-3-5-7-14/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyWGSRUDDLHWVZLB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.44
Rot. Bonds4

About N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide

N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24551561) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID24551561
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C17H19N5O2/c1-20(17(24)15-8-9-16(23)21(2)19-15)11-13-10-18-22(12-13)14-6-4-3-5-7-14/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyWGSRUDDLHWVZLB-UHFFFAOYSA-N
XLogP1.44
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide (CID 24551561) is N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is WGSRUDDLHWVZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-20(17(24)15-8-9-16(23)21(2)19-15)11-13-10-18-22(12-13)14-6-4-3-5-7-14/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide?
N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24551561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).