1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide

C16H15N5O2 — CID 51237900

IUPAC1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n1
InChIInChI=1S/C16H15N5O2/c1-20-10-9-14(19-20)17-16(23)13-7-8-15(22)21(18-13)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19,23)
InChIKeyRGUKXLKCYVGRCW-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.28
Rot. Bonds4

About 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 51237900) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
PubChem CID51237900
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n1
InChIInChI=1S/C16H15N5O2/c1-20-10-9-14(19-20)17-16(23)13-7-8-15(22)21(18-13)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19,23)
InChIKeyRGUKXLKCYVGRCW-UHFFFAOYSA-N
XLogP1.28
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide
CID 51145336
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide (CID 51237900) is 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide is Cn1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n1.
What is the InChIKey of 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RGUKXLKCYVGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20-10-9-14(19-20)17-16(23)13-7-8-15(22)21(18-13)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19,23).
What are the key properties of 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51237900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).