2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide

C20H20F3N5O3 — CID 56691200

IUPAC2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1
InChIInChI=1S/C20H20F3N5O3/c1-3-28(4-2)14(29)10-30-12-7-5-11(6-8-12)15-13(9-24)18(25)31-19-16(15)17(26-27-19)20(21,22)23/h5-8,15H,3-4,10,25H2,1-2H3,(H,26,27)
InChIKeyGSURGHBKNSGXMY-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide

2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide (PubChem CID 56691200) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide
PubChem CID56691200
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1
InChIInChI=1S/C20H20F3N5O3/c1-3-28(4-2)14(29)10-30-12-7-5-11(6-8-12)15-13(9-24)18(25)31-19-16(15)17(26-27-19)20(21,22)23/h5-8,15H,3-4,10,25H2,1-2H3,(H,26,27)
InChIKeyGSURGHBKNSGXMY-UHFFFAOYSA-N
XLogP2.89
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[(4R)-6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetate
CID 2024338
(4R)-6-amino-4-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 698789
(4S)-6-amino-4-(4-hydroxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 941426
N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
CID 3920761
(4S)-6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 682942
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
6-amino-3-(4-ethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3957072
6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 45035740
(4S)-6-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1002419
(4S)-6-amino-3-tert-butyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2196151
(4S)-6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 691815
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide (CID 56691200) is 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1.
What is the InChIKey of 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide?
The InChIKey is GSURGHBKNSGXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-3-28(4-2)14(29)10-30-12-7-5-11(6-8-12)15-13(9-24)18(25)31-19-16(15)17(26-27-19)20(21,22)23/h5-8,15H,3-4,10,25H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide?
2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide has a molecular weight of 435.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 56691200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).