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

C17H18N4O2 — CID 3375296

IUPAC6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O2/c1-9(2)22-12-6-4-11(5-7-12)15-13(8-18)16(19)23-17-14(15)10(3)20-21-17/h4-7,9,15H,19H2,1-3H3,(H,20,21)
InChIKeyOJJRJALCOPUXJS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.72
Rot. Bonds3

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

6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3375296) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3375296
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O2/c1-9(2)22-12-6-4-11(5-7-12)15-13(8-18)16(19)23-17-14(15)10(3)20-21-17/h4-7,9,15H,19H2,1-3H3,(H,20,21)
InChIKeyOJJRJALCOPUXJS-UHFFFAOYSA-N
XLogP2.72
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-3-methyl-4-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 651013
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
6-Amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 652676
6-Amino-4-(2-fluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600140
6-Amino-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600131
6-Amino-3-ET-4-(4-hydroxyphenyl)-1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 3141762
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2055996
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
6-Amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600133
6-Amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 644905
6-Amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 647912
6-Amino-4-(3,4-dimethoxyphenyl)-3-(methoxymethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 652273

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3375296) is 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is OJJRJALCOPUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9(2)22-12-6-4-11(5-7-12)15-13(8-18)16(19)23-17-14(15)10(3)20-21-17/h4-7,9,15H,19H2,1-3H3,(H,20,21).
What are the key properties of 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3375296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).