N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide

C21H17N5O — CID 23247280

IUPACN-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1c(NC(=O)c2ccccc2)cnn1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C21H17N5O/c1-15-19(23-21(27)17-10-6-3-7-11-17)14-22-26(15)20-13-12-18(24-25-20)16-8-4-2-5-9-16/h2-14H,1H3,(H,23,27)
InChIKeyOEEDBHUEEUFMGQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.89
Rot. Bonds4

About N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide

N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 23247280) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide
PubChem CID23247280
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1c(NC(=O)c2ccccc2)cnn1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C21H17N5O/c1-15-19(23-21(27)17-10-6-3-7-11-17)14-22-26(15)20-13-12-18(24-25-20)16-8-4-2-5-9-16/h2-14H,1H3,(H,23,27)
InChIKeyOEEDBHUEEUFMGQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide (CID 23247280) is N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide is Cc1c(NC(=O)c2ccccc2)cnn1-c1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is OEEDBHUEEUFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-15-19(23-21(27)17-10-6-3-7-11-17)14-22-26(15)20-13-12-18(24-25-20)16-8-4-2-5-9-16/h2-14H,1H3,(H,23,27).
What are the key properties of N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide?
N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 355.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(6-phenylpyridazin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 23247280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).