6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C20H17F3N6O — CID 19334738

IUPAC6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1cc(-c2nn(-c3ccccc3)c3c2C(CC(F)(F)F)C(C#N)=C(N)O3)n(C)n1
InChIInChI=1S/C20H17F3N6O/c1-11-8-15(28(2)26-11)17-16-13(9-20(21,22)23)14(10-24)18(25)30-19(16)29(27-17)12-6-4-3-5-7-12/h3-8,13H,9,25H2,1-2H3
InChIKeyZPGZYULGKGFIAP-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.70
Rot. Bonds3

About 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 19334738) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID19334738
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1cc(-c2nn(-c3ccccc3)c3c2C(CC(F)(F)F)C(C#N)=C(N)O3)n(C)n1
InChIInChI=1S/C20H17F3N6O/c1-11-8-15(28(2)26-11)17-16-13(9-20(21,22)23)14(10-24)18(25)30-19(16)29(27-17)12-6-4-3-5-7-12/h3-8,13H,9,25H2,1-2H3
InChIKeyZPGZYULGKGFIAP-UHFFFAOYSA-N
XLogP3.70
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]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

6-amino-3-(2,5-dimethylpyrazol-3-yl)-4-(3-fluorophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 19334731
6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 19334618
6-amino-4-(2-iodophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 21177783
6-amino-3-methyl-4-(2-methylphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3123533
6-amino-4-(4-tert-butylphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 50884017
6-amino-1-phenyl-4-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 2753710
(4R)-6-amino-3-methyl-1-phenyl-4-pyridin-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 679346
(4R)-6-amino-4-(3,4-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 983475
6-amino-3-methyl-4-naphthalen-1-yl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 2839102
(4S)-6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-(trifluoromethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 7173172
6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 19334609
(4R)-6-amino-4-(5-bromo-2-fluorophenyl)-1-phenyl-3-(trifluoromethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1114934

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 19334738) is 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is Cc1cc(-c2nn(-c3ccccc3)c3c2C(CC(F)(F)F)C(C#N)=C(N)O3)n(C)n1.
What is the InChIKey of 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is ZPGZYULGKGFIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-11-8-15(28(2)26-11)17-16-13(9-20(21,22)23)14(10-24)18(25)30-19(16)29(27-17)12-6-4-3-5-7-12/h3-8,13H,9,25H2,1-2H3.
What are the key properties of 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 414.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,5-dimethylpyrazol-3-yl)-1-phenyl-4-(2,2,2-trifluoroethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 19334738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).