5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile

C10H5BrCl2N4 — CID 70550152

IUPAC5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2c(Cl)cc(Br)cc2Cl)c1N
InChIInChI=1S/C10H5BrCl2N4/c11-6-1-7(12)9(8(13)2-6)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2
InChIKeyUJYBPYRPORPCON-UHFFFAOYSA-N
MW331.99 g/mol
LogP3.40
Rot. Bonds1

About 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile

5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile (PubChem CID 70550152) has the molecular formula C10H5BrCl2N4 and a molecular weight of 331.99 g/mol. Its IUPAC name is 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile
PubChem CID70550152
Molecular FormulaC10H5BrCl2N4
Molecular Weight331.99 g/mol
Exact Mass329.91
IUPAC Name5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2c(Cl)cc(Br)cc2Cl)c1N
InChIInChI=1S/C10H5BrCl2N4/c11-6-1-7(12)9(8(13)2-6)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2
InChIKeyUJYBPYRPORPCON-UHFFFAOYSA-N
XLogP3.40
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.99
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile (CID 70550152) is 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2c(Cl)cc(Br)cc2Cl)c1N.
What is the InChIKey of 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile?
The InChIKey is UJYBPYRPORPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N4/c11-6-1-7(12)9(8(13)2-6)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2.
What are the key properties of 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile?
5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile has a molecular weight of 331.99 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 70550152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).