6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H12Cl2N4O2 — CID 3158960

IUPAC6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3cccc(Cl)c3Cl)o1)C(C#N)=C(N)O2
InChIInChI=1S/C18H12Cl2N4O2/c1-8-14-15(10(7-21)17(22)26-18(14)24-23-8)13-6-5-12(25-13)9-3-2-4-11(19)16(9)20/h2-6,15H,22H2,1H3,(H,23,24)
InChIKeyWRQPAIJSOIKMAC-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.50
Rot. Bonds2

About 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3158960) has the molecular formula C18H12Cl2N4O2 and a molecular weight of 387.23 g/mol. Its IUPAC name is 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3158960
Molecular FormulaC18H12Cl2N4O2
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3cccc(Cl)c3Cl)o1)C(C#N)=C(N)O2
InChIInChI=1S/C18H12Cl2N4O2/c1-8-14-15(10(7-21)17(22)26-18(14)24-23-8)13-6-5-12(25-13)9-3-2-4-11(19)16(9)20/h2-6,15H,22H2,1H3,(H,23,24)
InChIKeyWRQPAIJSOIKMAC-UHFFFAOYSA-N
XLogP4.50
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3158960) is 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1ccc(-c3cccc(Cl)c3Cl)o1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is WRQPAIJSOIKMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2/c1-8-14-15(10(7-21)17(22)26-18(14)24-23-8)13-6-5-12(25-13)9-3-2-4-11(19)16(9)20/h2-6,15H,22H2,1H3,(H,23,24).
What are the key properties of 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 387.23 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[5-(2,3-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3158960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).