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

C18H14Cl2N4 — CID 22309901

IUPAC5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1ccc(-c2nn(-c3cc(Cl)ccc3C)c(N)c2C#N)c(Cl)c1
InChIInChI=1S/C18H14Cl2N4/c1-10-3-6-13(15(20)7-10)17-14(9-21)18(22)24(23-17)16-8-12(19)5-4-11(16)2/h3-8H,22H2,1-2H3
InChIKeyQBGBPYJORBKDKH-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.92
Rot. Bonds2

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

5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 22309901) has the molecular formula C18H14Cl2N4 and a molecular weight of 357.24 g/mol. Its IUPAC name is 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile
PubChem CID22309901
Molecular FormulaC18H14Cl2N4
Molecular Weight357.24 g/mol
Exact Mass356.06
IUPAC Name5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1ccc(-c2nn(-c3cc(Cl)ccc3C)c(N)c2C#N)c(Cl)c1
InChIInChI=1S/C18H14Cl2N4/c1-10-3-6-13(15(20)7-10)17-14(9-21)18(22)24(23-17)16-8-12(19)5-4-11(16)2/h3-8H,22H2,1-2H3
InChIKeyQBGBPYJORBKDKH-UHFFFAOYSA-N
XLogP4.92
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098
5-amino-3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbonitrile
CID 22309990
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39246638
1-(2,5-dichlorophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39365306
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-1-(2,4-dichlorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43159090
2-(5-chloro-2-methylphenyl)pyrazol-3-amine
CID 82470501
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile (CID 22309901) is 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile is Cc1ccc(-c2nn(-c3cc(Cl)ccc3C)c(N)c2C#N)c(Cl)c1.
What is the InChIKey of 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is QBGBPYJORBKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4/c1-10-3-6-13(15(20)7-10)17-14(9-21)18(22)24(23-17)16-8-12(19)5-4-11(16)2/h3-8H,22H2,1-2H3.
What are the key properties of 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile?
5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 357.24 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22309901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).