6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C22H20N4O2 — CID 5156810

IUPAC6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(C(C)c2ccccc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C22H20N4O2/c1-13(14-6-4-3-5-7-14)18-17(12-23)21(24)28-22-19(18)20(25-26-22)15-8-10-16(27-2)11-9-15/h3-11,13,18H,24H2,1-2H3,(H,25,26)
InChIKeyHYAXKCQOALWMJT-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.06
Rot. Bonds4

About 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 5156810) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID5156810
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(C(C)c2ccccc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C22H20N4O2/c1-13(14-6-4-3-5-7-14)18-17(12-23)21(24)28-22-19(18)20(25-26-22)15-8-10-16(27-2)11-9-15/h3-11,13,18H,24H2,1-2H3,(H,25,26)
InChIKeyHYAXKCQOALWMJT-UHFFFAOYSA-N
XLogP4.06
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 764926
6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881395
(4R)-6-amino-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1287442
(4R)-6-amino-4-(4-bromophenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 993591
(4S)-6-amino-4-(2,4-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1112102
6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3441144
6-amino-4-(2-butoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961940
6-amino-3-(4-ethoxyphenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945797
6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881667
(4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006246

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 5156810) is 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2[nH]nc3c2C(C(C)c2ccccc2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HYAXKCQOALWMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13(14-6-4-3-5-7-14)18-17(12-23)21(24)28-22-19(18)20(25-26-22)15-8-10-16(27-2)11-9-15/h3-11,13,18H,24H2,1-2H3,(H,25,26).
What are the key properties of 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 5156810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).