6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H19F3N4O3 — CID 45035740

IUPAC6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)ccc1OC(C)C
InChIInChI=1S/C19H19F3N4O3/c1-4-27-13-7-10(5-6-12(13)28-9(2)3)14-11(8-23)17(24)29-18-15(14)16(25-26-18)19(20,21)22/h5-7,9,14H,4,24H2,1-3H3,(H,25,26)
InChIKeyRDDYJMBFMBVPLY-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.83
Rot. Bonds5

About 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 45035740) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID45035740
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)ccc1OC(C)C
InChIInChI=1S/C19H19F3N4O3/c1-4-27-13-7-10(5-6-12(13)28-9(2)3)14-11(8-23)17(24)29-18-15(14)16(25-26-18)19(20,21)22/h5-7,9,14H,4,24H2,1-3H3,(H,25,26)
InChIKeyRDDYJMBFMBVPLY-UHFFFAOYSA-N
XLogP3.83
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7236449
(4R)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086265
(4S)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086266
6-amino-4-(3-ethoxy-4-propoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3154779
(4S)-6-amino-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 951901
(4R)-6-amino-4-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 698789
6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2951242
6-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4039349
2-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]-N,N-diethylacetamide
CID 56691200
(4S)-6-amino-4-(4-hydroxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 941426
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3714032
6-amino-3-(4-ethoxyphenyl)-4-(3-ethoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4640767

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 45035740) is 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)ccc1OC(C)C.
What is the InChIKey of 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RDDYJMBFMBVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-4-27-13-7-10(5-6-12(13)28-9(2)3)14-11(8-23)17(24)29-18-15(14)16(25-26-18)19(20,21)22/h5-7,9,14H,4,24H2,1-3H3,(H,25,26).
What are the key properties of 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 408.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 45035740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).