1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide

C20H21N5O2 — CID 112761495

IUPAC1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-14(16-7-8-16)25-18(11-12-21-25)22-20(27)17-9-10-19(26)24(23-17)13-15-5-3-2-4-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,22,27)
InChIKeyIFBQYUIOIPKRKI-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.71
Rot. Bonds6

About 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 112761495) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide
PubChem CID112761495
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-14(16-7-8-16)25-18(11-12-21-25)22-20(27)17-9-10-19(26)24(23-17)13-15-5-3-2-4-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,22,27)
InChIKeyIFBQYUIOIPKRKI-UHFFFAOYSA-N
XLogP2.71
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 42994663
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 51237900
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide (CID 112761495) is 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide is CC(C1CC1)n1nccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is IFBQYUIOIPKRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(16-7-8-16)25-18(11-12-21-25)22-20(27)17-9-10-19(26)24(23-17)13-15-5-3-2-4-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,22,27).
What are the key properties of 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 112761495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).