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

C22H20N4O3 — CID 3155375

IUPAC6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2[nH]nc3c2C(c2ccc(C)cc2)C(C#N)=C(N)O3)c1
InChIInChI=1S/C22H20N4O3/c1-12-4-6-13(7-5-12)18-16(11-23)21(24)29-22-19(18)20(25-26-22)15-10-14(27-2)8-9-17(15)28-3/h4-10,18H,24H2,1-3H3,(H,25,26)
InChIKeyONQGOUOILZPRNR-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.62
Rot. Bonds4

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

6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3155375) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3155375
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2[nH]nc3c2C(c2ccc(C)cc2)C(C#N)=C(N)O3)c1
InChIInChI=1S/C22H20N4O3/c1-12-4-6-13(7-5-12)18-16(11-23)21(24)29-22-19(18)20(25-26-22)15-10-14(27-2)8-9-17(15)28-3/h4-10,18H,24H2,1-3H3,(H,25,26)
InChIKeyONQGOUOILZPRNR-UHFFFAOYSA-N
XLogP3.62
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-3-(2,5-dimethoxyphenyl)-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946260
(4S)-6-amino-3-(2,5-dimethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087959
6-amino-3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946490
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087954
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044795
(4R)-6-amino-4-(4-bromophenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 993591
(4R)-6-amino-3-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212906
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212680
(4R)-6-amino-4-(3-hydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1390738
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838576
(4R)-6-amino-3-(4-methylphenyl)-4-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 28563070

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3155375) is 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(OC)c(-c2[nH]nc3c2C(c2ccc(C)cc2)C(C#N)=C(N)O3)c1.
What is the InChIKey of 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ONQGOUOILZPRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-12-4-6-13(7-5-12)18-16(11-23)21(24)29-22-19(18)20(25-26-22)15-10-14(27-2)8-9-17(15)28-3/h4-10,18H,24H2,1-3H3,(H,25,26).
What are the key properties of 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 388.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3155375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).