3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one

C15H19N5O2 — CID 167777670

IUPAC3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one
SMILESCOCCn1ccc(-n2ncc3c(C)n(C)c(C)c3c2=O)n1
InChIInChI=1S/C15H19N5O2/c1-10-12-9-16-20(15(21)14(12)11(2)18(10)3)13-5-6-19(17-13)7-8-22-4/h5-6,9H,7-8H2,1-4H3
InChIKeyMEELUBBMZRTJPP-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.18
Rot. Bonds4

About 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one

3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 167777670) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID167777670
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one
SMILESCOCCn1ccc(-n2ncc3c(C)n(C)c(C)c3c2=O)n1
InChIInChI=1S/C15H19N5O2/c1-10-12-9-16-20(15(21)14(12)11(2)18(10)3)13-5-6-19(17-13)7-8-22-4/h5-6,9H,7-8H2,1-4H3
InChIKeyMEELUBBMZRTJPP-UHFFFAOYSA-N
XLogP1.18
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,5-dimethylpyrrol-1-yl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 48063418
5-[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 2445525
(5-Aminopyrazol-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 53573890
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2-dimethyl-1H-pyrrole-3-carboxamide
CID 124219419
7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146670180
1,5,7-trimethyl-N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 155351728
1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155351944
5-[2-[1-(3-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17470059
5-[2-[1-[(4-Fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17471162
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 20915461
4-[1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]morpholine
CID 20915567
5-[2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559589

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one (CID 167777670) is 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one is COCCn1ccc(-n2ncc3c(C)n(C)c(C)c3c2=O)n1.
What is the InChIKey of 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is MEELUBBMZRTJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-12-9-16-20(15(21)14(12)11(2)18(10)3)13-5-6-19(17-13)7-8-22-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one?
3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)pyrazol-3-yl]-5,6,7-trimethylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 167777670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).