5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile

C10H5Br2FN4 — CID 118447491

IUPAC5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2c(Br)cc(F)cc2Br)c1N
InChIInChI=1S/C10H5Br2FN4/c11-7-1-6(13)2-8(12)9(7)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2
InChIKeyJNHQVHIHHMBEJM-UHFFFAOYSA-N
MW359.98 g/mol
LogP2.99
Rot. Bonds1

About 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile

5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 118447491) has the molecular formula C10H5Br2FN4 and a molecular weight of 359.98 g/mol. Its IUPAC name is 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID118447491
Molecular FormulaC10H5Br2FN4
Molecular Weight359.98 g/mol
Exact Mass357.89
IUPAC Name5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2c(Br)cc(F)cc2Br)c1N
InChIInChI=1S/C10H5Br2FN4/c11-7-1-6(13)2-8(12)9(7)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2
InChIKeyJNHQVHIHHMBEJM-UHFFFAOYSA-N
XLogP2.99
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.98
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile (CID 118447491) is 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2c(Br)cc(F)cc2Br)c1N.
What is the InChIKey of 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is JNHQVHIHHMBEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2FN4/c11-7-1-6(13)2-8(12)9(7)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2.
What are the key properties of 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile?
5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 359.98 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dibromo-4-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 118447491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).