5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile

C14H8Cl2N6 — CID 22309990

IUPAC5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ncccn2)c1N
InChIInChI=1S/C14H8Cl2N6/c15-8-2-3-9(11(16)6-8)12-10(7-17)13(18)22(21-12)14-19-4-1-5-20-14/h1-6H,18H2
InChIKeyGJJMUKWPOOFYHL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.09
Rot. Bonds2

About 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile

5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile (PubChem CID 22309990) has the molecular formula C14H8Cl2N6 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile
PubChem CID22309990
Molecular FormulaC14H8Cl2N6
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ncccn2)c1N
InChIInChI=1S/C14H8Cl2N6/c15-8-2-3-9(11(16)6-8)12-10(7-17)13(18)22(21-12)14-19-4-1-5-20-14/h1-6H,18H2
InChIKeyGJJMUKWPOOFYHL-UHFFFAOYSA-N
XLogP3.09
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
CID 15528298
5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
3-(2,4-dichlorophenyl)-1-methylpyrazole-4-carbonitrile
CID 15116022
3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
2-amino-4-(2,4-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543957
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile (CID 22309990) is 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ncccn2)c1N.
What is the InChIKey of 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The InChIKey is GJJMUKWPOOFYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N6/c15-8-2-3-9(11(16)6-8)12-10(7-17)13(18)22(21-12)14-19-4-1-5-20-14/h1-6H,18H2.
What are the key properties of 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile has a molecular weight of 331.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 22309990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).