2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

C23H22FN3O2 — CID 53092949

IUPAC2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccc(F)cc3)ccn2n1
InChIInChI=1S/C23H22FN3O2/c1-2-3-14-29-22-7-5-4-6-19(22)20-15-21-23(28)26(12-13-27(21)25-20)16-17-8-10-18(24)11-9-17/h4-13,15H,2-3,14,16H2,1H3
InChIKeySKCJFUGUYRWINZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.53
Rot. Bonds7

About 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53092949) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53092949
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccc(F)cc3)ccn2n1
InChIInChI=1S/C23H22FN3O2/c1-2-3-14-29-22-7-5-4-6-19(22)20-15-21-23(28)26(12-13-27(21)25-20)16-17-8-10-18(24)11-9-17/h4-13,15H,2-3,14,16H2,1H3
InChIKeySKCJFUGUYRWINZ-UHFFFAOYSA-N
XLogP4.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53092949) is 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is CCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccc(F)cc3)ccn2n1.
What is the InChIKey of 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SKCJFUGUYRWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-2-3-14-29-22-7-5-4-6-19(22)20-15-21-23(28)26(12-13-27(21)25-20)16-17-8-10-18(24)11-9-17/h4-13,15H,2-3,14,16H2,1H3.
What are the key properties of 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 391.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53092949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).