4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

C21H17N5O2 — CID 49033681

IUPAC4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3cccc(-c4ccc(=O)[nH]n4)c3)cc2)c1
InChIInChI=1S/C21H17N5O2/c1-14-12-22-26(13-14)18-7-5-15(6-8-18)21(28)23-17-4-2-3-16(11-17)19-9-10-20(27)25-24-19/h2-13H,1H3,(H,23,28)(H,25,27)
InChIKeyGGRQHOIWASQEJI-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.18
Rot. Bonds4

About 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 49033681) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID49033681
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3cccc(-c4ccc(=O)[nH]n4)c3)cc2)c1
InChIInChI=1S/C21H17N5O2/c1-14-12-22-26(13-14)18-7-5-15(6-8-18)21(28)23-17-4-2-3-16(11-17)19-9-10-20(27)25-24-19/h2-13H,1H3,(H,23,28)(H,25,27)
InChIKeyGGRQHOIWASQEJI-UHFFFAOYSA-N
XLogP3.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide 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-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 108811382
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (CID 49033681) is 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4ccc(=O)[nH]n4)c3)cc2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is GGRQHOIWASQEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14-12-22-26(13-14)18-7-5-15(6-8-18)21(28)23-17-4-2-3-16(11-17)19-9-10-20(27)25-24-19/h2-13H,1H3,(H,23,28)(H,25,27).
What are the key properties of 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 49033681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).