5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H19FN4O2 — CID 118575140

IUPAC5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cccc(NCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)c1
InChIInChI=1S/C20H19FN4O2/c1-27-18-4-2-3-15(11-18)22-13-16-12-19-20(26)24(9-10-25(19)23-16)17-7-5-14(21)6-8-17/h2-8,11-12,22H,9-10,13H2,1H3
InChIKeyKDOYLNHVKVMIRI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.30
Rot. Bonds5

About 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575140) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575140
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cccc(NCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)c1
InChIInChI=1S/C20H19FN4O2/c1-27-18-4-2-3-15(11-18)22-13-16-12-19-20(26)24(9-10-25(19)23-16)17-7-5-14(21)6-8-17/h2-8,11-12,22H,9-10,13H2,1H3
InChIKeyKDOYLNHVKVMIRI-UHFFFAOYSA-N
XLogP3.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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}acetamide
CID 23635262
1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23635752
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N,N'-bis(3-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 659446
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
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
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
5-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575140) is 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1cccc(NCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)c1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KDOYLNHVKVMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-18-4-2-3-15(11-18)22-13-16-12-19-20(26)24(9-10-25(19)23-16)17-7-5-14(21)6-8-17/h2-8,11-12,22H,9-10,13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(3-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).