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

C20H11Cl2F3N4O — CID 4074374

IUPAC6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H11Cl2F3N4O/c21-13-6-5-9(7-14(13)22)17-16-15(10-3-1-2-4-12(10)20(23,24)25)11(8-26)18(27)30-19(16)29-28-17/h1-7,15H,27H2,(H,28,29)
InChIKeyNBTDWEGBGICBKT-UHFFFAOYSA-N
MW451.24 g/mol
LogP5.62
Rot. Bonds2

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

6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4074374) has the molecular formula C20H11Cl2F3N4O and a molecular weight of 451.24 g/mol. Its IUPAC name is 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4074374
Molecular FormulaC20H11Cl2F3N4O
Molecular Weight451.24 g/mol
Exact Mass450.03
IUPAC Name6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H11Cl2F3N4O/c21-13-6-5-9(7-14(13)22)17-16-15(10-3-1-2-4-12(10)20(23,24)25)11(8-26)18(27)30-19(16)29-28-17/h1-7,15H,27H2,(H,28,29)
InChIKeyNBTDWEGBGICBKT-UHFFFAOYSA-N
XLogP5.62
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.24
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-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

(4S)-6-amino-4-(2,3-dichlorophenyl)-3-(3,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212611
(4R)-6-amino-3-(3,4-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 92848780
(4S)-6-amino-3-(3,4-dichlorophenyl)-4-[2-[(4-fluorophenyl)methoxy]phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 92964717
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1115061
6-amino-4-(2,3-dichlorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 22330915
(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743692
(4S)-6-amino-4-(2-iodophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044730
(4R)-6-amino-4-(2-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716346
(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-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
6-amino-4-(2-bromophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 23637325

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4074374) is 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c2C1c1ccccc1C(F)(F)F.
What is the InChIKey of 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NBTDWEGBGICBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N4O/c21-13-6-5-9(7-14(13)22)17-16-15(10-3-1-2-4-12(10)20(23,24)25)11(8-26)18(27)30-19(16)29-28-17/h1-7,15H,27H2,(H,28,29).
What are the key properties of 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 451.24 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4074374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).