5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile

C13H10N4O — CID 15647581

IUPAC5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
SMILESCc1nn(-c2ccccc2)c2oc(N)c(C#N)c12
InChIInChI=1S/C13H10N4O/c1-8-11-10(7-14)12(15)18-13(11)17(16-8)9-5-3-2-4-6-9/h2-6H,15H2,1H3
InChIKeyDYEVBIFGVPLKFC-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds1

About 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile

5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile (PubChem CID 15647581) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
PubChem CID15647581
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
SMILESCc1nn(-c2ccccc2)c2oc(N)c(C#N)c12
InChIInChI=1S/C13H10N4O/c1-8-11-10(7-14)12(15)18-13(11)17(16-8)9-5-3-2-4-6-9/h2-6H,15H2,1H3
InChIKeyDYEVBIFGVPLKFC-UHFFFAOYSA-N
XLogP2.38
TPSA80.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile (CID 15647581) is 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile is Cc1nn(-c2ccccc2)c2oc(N)c(C#N)c12.
What is the InChIKey of 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile?
The InChIKey is DYEVBIFGVPLKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-8-11-10(7-14)12(15)18-13(11)17(16-8)9-5-3-2-4-6-9/h2-6H,15H2,1H3.
What are the key properties of 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile?
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile is sourced from PubChem (CID 15647581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).