6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H20N4O4 — CID 2951242

IUPAC6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCO
InChIInChI=1S/C18H20N4O4/c1-3-24-14-8-11(4-5-13(14)25-7-6-23)16-12(9-19)17(20)26-18-15(16)10(2)21-22-18/h4-5,8,16,23H,3,6-7,20H2,1-2H3,(H,21,22)
InChIKeyRVROXYRPFRRZGX-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.71
Rot. Bonds6

About 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2951242) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2951242
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCO
InChIInChI=1S/C18H20N4O4/c1-3-24-14-8-11(4-5-13(14)25-7-6-23)16-12(9-19)17(20)26-18-15(16)10(2)21-22-18/h4-5,8,16,23H,3,6-7,20H2,1-2H3,(H,21,22)
InChIKeyRVROXYRPFRRZGX-UHFFFAOYSA-N
XLogP1.71
TPSA126.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
6-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3666065
(4S)-6-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 126152059
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(4-bromophenyl)acetamide
CID 3505120
(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-3-(4-ethoxyphenyl)-4-(3-ethoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4640767
methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate
CID 2909306
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
(4S)-6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 682942
6-amino-4-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5026508

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2951242) is 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCO.
What is the InChIKey of 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RVROXYRPFRRZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-24-14-8-11(4-5-13(14)25-7-6-23)16-12(9-19)17(20)26-18-15(16)10(2)21-22-18/h4-5,8,16,23H,3,6-7,20H2,1-2H3,(H,21,22).
What are the key properties of 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 356.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2951242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).