2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one

C18H21N3O2 — CID 172906699

IUPAC2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(CC)ccn2n1
InChIInChI=1S/C18H21N3O2/c1-3-5-12-23-17-9-7-6-8-14(17)15-13-16-18(22)20(4-2)10-11-21(16)19-15/h6-11,13H,3-5,12H2,1-2H3
InChIKeyUOXMZVZXZWCDAO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one

2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 172906699) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID172906699
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(CC)ccn2n1
InChIInChI=1S/C18H21N3O2/c1-3-5-12-23-17-9-7-6-8-14(17)15-13-16-18(22)20(4-2)10-11-21(16)19-15/h6-11,13H,3-5,12H2,1-2H3
InChIKeyUOXMZVZXZWCDAO-UHFFFAOYSA-N
XLogP3.36
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092949
2-(2-butoxyphenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092944
2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide
CID 172906786
2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906802
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 163353551
5-[(2-fluorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 71802710
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27372712
2-(4-butoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092928
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 27372713
2-phenyl-5-propylpyrazolo[1,5-a]pyrazin-4-one
CID 91886931
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 50742930

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one (CID 172906699) is 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one is CCCCOc1ccccc1-c1cc2c(=O)n(CC)ccn2n1.
What is the InChIKey of 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UOXMZVZXZWCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-5-12-23-17-9-7-6-8-14(17)15-13-16-18(22)20(4-2)10-11-21(16)19-15/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one?
2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 311.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 172906699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).