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

C20H14Cl2N4O — CID 22330915

IUPAC6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(-c2[nH]nc3c2C(c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C20H14Cl2N4O/c1-10-5-7-11(8-6-10)18-16-15(12-3-2-4-14(21)17(12)22)13(9-23)19(24)27-20(16)26-25-18/h2-8,15H,24H2,1H3,(H,25,26)
InChIKeyWPWBUIXICGFOKI-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.91
Rot. Bonds2

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

6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 22330915) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID22330915
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(-c2[nH]nc3c2C(c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C20H14Cl2N4O/c1-10-5-7-11(8-6-10)18-16-15(12-3-2-4-14(21)17(12)22)13(9-23)19(24)27-20(16)26-25-18/h2-8,15H,24H2,1H3,(H,25,26)
InChIKeyWPWBUIXICGFOKI-UHFFFAOYSA-N
XLogP4.91
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-amino-4-(2,3-dichlorophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1115061
(4S)-6-amino-4-(2,3-dichlorophenyl)-3-(3,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212611
(4S)-6-amino-4-(2-hydroxyphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7831953
6-amino-4-(2-bromophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 23637325
(4R)-6-amino-4-(2-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716346
6-amino-4-(2-ethoxyphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3602260
(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-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1387350
6-amino-4-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4871732
(4S)-6-amino-4-(2-iodophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044730
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 22330915) is 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(-c2[nH]nc3c2C(c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is WPWBUIXICGFOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c1-10-5-7-11(8-6-10)18-16-15(12-3-2-4-14(21)17(12)22)13(9-23)19(24)27-20(16)26-25-18/h2-8,15H,24H2,1H3,(H,25,26).
What are the key properties of 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 397.27 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 22330915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).