(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile

C13H11FN4O — CID 132545561

IUPAC(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
SMILESN#CC1=C(N)N2C(=O)CCN2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C13H11FN4O/c14-9-3-1-8(2-4-9)12-10(7-15)13(16)18-11(19)5-6-17(12)18/h1-4,12H,5-6,16H2/t12-/m1/s1
InChIKeyGUHWMDJRUYMWBU-GFCCVEGCSA-N
MW258.26 g/mol
LogP1.02
Rot. Bonds1

About (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile

(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile (PubChem CID 132545561) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
PubChem CID132545561
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
SMILESN#CC1=C(N)N2C(=O)CCN2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C13H11FN4O/c14-9-3-1-8(2-4-9)12-10(7-15)13(16)18-11(19)5-6-17(12)18/h1-4,12H,5-6,16H2/t12-/m1/s1
InChIKeyGUHWMDJRUYMWBU-GFCCVEGCSA-N
XLogP1.02
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
CID 132545559
2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3280278
7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 616306
(5S)-7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 684501
2,6-diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 815709
2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
CID 83830352
(5R)-7-amino-5-(4-fluorophenyl)-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 136853913
5-amino-7-(4-fluorophenyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
CID 136694946
(4S)-2-amino-4-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 1405552
(7S)-5-amino-7-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,1-dioxo-3,7-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile
CID 7304929
(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 762846
(4R)-2-amino-1-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1249117

Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
The IUPAC name of (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile (CID 132545561) is (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile.
What is the SMILES notation for (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
The canonical SMILES for (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile is N#CC1=C(N)N2C(=O)CCN2[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
The InChIKey is GUHWMDJRUYMWBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-9-3-1-8(2-4-9)12-10(7-15)13(16)18-11(19)5-6-17(12)18/h1-4,12H,5-6,16H2/t12-/m1/s1.
What are the key properties of (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile has a molecular weight of 258.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile is sourced from PubChem (CID 132545561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).