5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile

C16H9BrF2N4 — CID 129248073

IUPAC5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)nn(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C16H9BrF2N4/c17-10-3-1-9(2-4-10)15-12(8-20)16(21)23(22-15)14-7-11(18)5-6-13(14)19/h1-7H,21H2
InChIKeyYTQXDQLPHVYXNO-UHFFFAOYSA-N
MW375.18 g/mol
LogP4.03
Rot. Bonds2

About 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile

5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile (PubChem CID 129248073) has the molecular formula C16H9BrF2N4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
PubChem CID129248073
Molecular FormulaC16H9BrF2N4
Molecular Weight375.18 g/mol
Exact Mass374.00
IUPAC Name5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)nn(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C16H9BrF2N4/c17-10-3-1-9(2-4-10)15-12(8-20)16(21)23(22-15)14-7-11(18)5-6-13(14)19/h1-7H,21H2
InChIKeyYTQXDQLPHVYXNO-UHFFFAOYSA-N
XLogP4.03
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile (CID 129248073) is 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)nn(-c2cc(F)ccc2F)c1N.
What is the InChIKey of 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is YTQXDQLPHVYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N4/c17-10-3-1-9(2-4-10)15-12(8-20)16(21)23(22-15)14-7-11(18)5-6-13(14)19/h1-7H,21H2.
What are the key properties of 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile?
5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 375.18 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 129248073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).