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

C14H14N4O2 — CID 132545559

IUPAC(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
SMILESCOc1cccc([C@@H]2C(C#N)=C(N)N3C(=O)CCN23)c1
InChIInChI=1S/C14H14N4O2/c1-20-10-4-2-3-9(7-10)13-11(8-15)14(16)18-12(19)5-6-17(13)18/h2-4,7,13H,5-6,16H2,1H3/t13-/m1/s1
InChIKeyGKIAYGALFZDPPJ-CYBMUJFWSA-N
MW270.29 g/mol
LogP0.89
Rot. Bonds2

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

(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile (PubChem CID 132545559) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
PubChem CID132545559
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
SMILESCOc1cccc([C@@H]2C(C#N)=C(N)N3C(=O)CCN23)c1
InChIInChI=1S/C14H14N4O2/c1-20-10-4-2-3-9(7-10)13-11(8-15)14(16)18-12(19)5-6-17(13)18/h2-4,7,13H,5-6,16H2,1H3/t13-/m1/s1
InChIKeyGKIAYGALFZDPPJ-CYBMUJFWSA-N
XLogP0.89
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-5-amino-7-(4-fluorophenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
CID 132545561
methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate
CID 17273411
(4S)-2-amino-1-(4-fluorophenyl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1225645
(4R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7027904
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
CID 23969977
2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3862252
(7S)-9-amino-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 7347031
(4S,7S)-2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1025141
methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate
CID 11482053
(4S)-2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1045923
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
ethyl (4R)-6-amino-5-cyano-4-(3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 914620

Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
The IUPAC name of (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile (CID 132545559) is (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile.
What is the SMILES notation for (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
The canonical SMILES for (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile is COc1cccc([C@@H]2C(C#N)=C(N)N3C(=O)CCN23)c1.
What is the InChIKey of (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
The InChIKey is GKIAYGALFZDPPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-10-4-2-3-9(7-10)13-11(8-15)14(16)18-12(19)5-6-17(13)18/h2-4,7,13H,5-6,16H2,1H3/t13-/m1/s1.
What are the key properties of (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile?
(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile is sourced from PubChem (CID 132545559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).