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

C15H11ClN4O — CID 22310098

IUPAC5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
SMILESCc1ccc(Cl)cc1-n1nc(-c2ccco2)c(C#N)c1N
InChIInChI=1S/C15H11ClN4O/c1-9-4-5-10(16)7-12(9)20-15(18)11(8-17)14(19-20)13-3-2-6-21-13/h2-7H,18H2,1H3
InChIKeyWEBASPTYFGRYSX-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.55
Rot. Bonds2

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

5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile (PubChem CID 22310098) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
PubChem CID22310098
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
SMILESCc1ccc(Cl)cc1-n1nc(-c2ccco2)c(C#N)c1N
InChIInChI=1S/C15H11ClN4O/c1-9-4-5-10(16)7-12(9)20-15(18)11(8-17)14(19-20)13-3-2-6-21-13/h2-7H,18H2,1H3
InChIKeyWEBASPTYFGRYSX-UHFFFAOYSA-N
XLogP3.55
TPSA80.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile
CID 22309901
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 3339403
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
6-chloro-2-(furan-2-yl)-4-methylpyridin-3-amine
CID 59355428
3-(3-chloro-4-methylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370656
5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile
CID 22309990
2-(5-chloro-2-methylphenyl)pyrazol-3-amine
CID 82470501
5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 82114108
3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol
CID 171827622

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile (CID 22310098) is 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile is Cc1ccc(Cl)cc1-n1nc(-c2ccco2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile?
The InChIKey is WEBASPTYFGRYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-9-4-5-10(16)7-12(9)20-15(18)11(8-17)14(19-20)13-3-2-6-21-13/h2-7H,18H2,1H3.
What are the key properties of 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22310098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).