5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18FN3O2 — CID 57410027

IUPAC5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)cc1
InChIInChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3
InChIKeySJDDUFOMLKNPQT-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.57
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 57410027) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID57410027
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)cc1
InChIInChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3
InChIKeySJDDUFOMLKNPQT-UHFFFAOYSA-N
XLogP3.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
CID 23635264
ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CID 22240488
6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23635753
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
Cfm-1571
CID 9844347
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
1-Cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10592156
1-Cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10593194
1-Cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10689417
5-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802
N-hydroxy-5-(4-methoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465646

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 57410027) is 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SJDDUFOMLKNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 351.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 57410027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).