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

C19H16FN3O2 — CID 72714783

IUPAC5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyPVXQBLCMLZKSAX-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.26
Rot. Bonds4

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

5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 72714783) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID72714783
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyPVXQBLCMLZKSAX-UHFFFAOYSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cfm-1571
CID 9844347
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
1-Cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10689417
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 16117133
2-[6-(3-chloro-4-fluorophenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 44466236
Pyrazolo[1,5-a]pyrazine-5(4H)-acetamide, 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylethyl)-4-oxo-2-[3-(1-piperidinyl)propoxy]-
CID 44466239
2-[6-(3-chloro-2-fluorophenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 44466493
2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865463
2-[4-oxo-2-(3-piperidin-1-ylpropoxy)-6-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865507
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
5-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 72714783) is 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PVXQBLCMLZKSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2.
What are the key properties of 5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 337.35 g/mol, XLogP of 3.26, 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-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 72714783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).