6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H14N4O2 — CID 162294921

IUPAC6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)OC2=C1C(C)N=N2
InChIInChI=1S/C15H14N4O2/c1-8-12-13(9-5-3-4-6-11(9)20-2)10(7-16)14(17)21-15(12)19-18-8/h3-6,8,13H,17H2,1-2H3
InChIKeyBTGRYSYQVFMTEV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.57
Rot. Bonds2

About 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 162294921) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID162294921
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)OC2=C1C(C)N=N2
InChIInChI=1S/C15H14N4O2/c1-8-12-13(9-5-3-4-6-11(9)20-2)10(7-16)14(17)21-15(12)19-18-8/h3-6,8,13H,17H2,1-2H3
InChIKeyBTGRYSYQVFMTEV-UHFFFAOYSA-N
XLogP2.57
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2-methoxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 2844703
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 791384
7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
(4R)-6-amino-4-(2-methoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1215461
2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 4645991
ethyl (4R)-6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-pyran-3-carboxylate
CID 698823
2-amino-4-(2-methoxyphenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
CID 4920915
(4R)-2-amino-4-(2-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 7556269
2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 3745030
(4R)-2-amino-4-(5-bromo-2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 8613647

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 162294921) is 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccccc1C1C(C#N)=C(N)OC2=C1C(C)N=N2.
What is the InChIKey of 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is BTGRYSYQVFMTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-8-12-13(9-5-3-4-6-11(9)20-2)10(7-16)14(17)21-15(12)19-18-8/h3-6,8,13H,17H2,1-2H3.
What are the key properties of 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 162294921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).