2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide

C17H17N5O4 — CID 131935325

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCOc1cccc(-n2cc(CNC(=O)Cc3cc(=O)[nH][nH]c3=O)cn2)c1
InChIInChI=1S/C17H17N5O4/c1-26-14-4-2-3-13(7-14)22-10-11(9-19-22)8-18-15(23)5-12-6-16(24)20-21-17(12)25/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,23)(H,20,24)(H,21,25)
InChIKeyDLKHNSJACMCRLP-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.12
Rot. Bonds6

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 131935325) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
PubChem CID131935325
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCOc1cccc(-n2cc(CNC(=O)Cc3cc(=O)[nH][nH]c3=O)cn2)c1
InChIInChI=1S/C17H17N5O4/c1-26-14-4-2-3-13(7-14)22-10-11(9-19-22)8-18-15(23)5-12-6-16(24)20-21-17(12)25/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,23)(H,20,24)(H,21,25)
InChIKeyDLKHNSJACMCRLP-UHFFFAOYSA-N
XLogP0.12
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131893501
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CID 131945038
5-acetyl-N-[1-[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 42368417
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CID 72922589
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911334
2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 112536479
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97138809
5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111251127
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide (CID 131935325) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide is COc1cccc(-n2cc(CNC(=O)Cc3cc(=O)[nH][nH]c3=O)cn2)c1.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is DLKHNSJACMCRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-26-14-4-2-3-13(7-14)22-10-11(9-19-22)8-18-15(23)5-12-6-16(24)20-21-17(12)25/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,23)(H,20,24)(H,21,25).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 355.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 131935325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).