5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

C15H12N4O2 — CID 22310084

IUPAC5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(-n2nc(-c3ccco3)c(C#N)c2N)cc1
InChIInChI=1S/C15H12N4O2/c1-20-11-6-4-10(5-7-11)19-15(17)12(9-16)14(18-19)13-3-2-8-21-13/h2-8H,17H2,1H3
InChIKeyRUEZOBCXNQMAKM-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.59
Rot. Bonds3

About 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile (PubChem CID 22310084) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
PubChem CID22310084
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(-n2nc(-c3ccco3)c(C#N)c2N)cc1
InChIInChI=1S/C15H12N4O2/c1-20-11-6-4-10(5-7-11)19-15(17)12(9-16)14(18-19)13-3-2-8-21-13/h2-8H,17H2,1H3
InChIKeyRUEZOBCXNQMAKM-UHFFFAOYSA-N
XLogP2.59
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22309790
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098
2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
CID 18507326
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
6-amino-3-(furan-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 4775668
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92970259
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile (CID 22310084) is 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile is COc1ccc(-n2nc(-c3ccco3)c(C#N)c2N)cc1.
What is the InChIKey of 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The InChIKey is RUEZOBCXNQMAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-20-11-6-4-10(5-7-11)19-15(17)12(9-16)14(18-19)13-3-2-8-21-13/h2-8H,17H2,1H3.
What are the key properties of 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22310084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).