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

C16H9F3N4 — CID 22310011

IUPAC5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2F)nn(-c2cccc(F)c2)c1N
InChIInChI=1S/C16H9F3N4/c17-9-2-1-3-11(6-9)23-16(21)13(8-20)15(22-23)12-5-4-10(18)7-14(12)19/h1-7H,21H2
InChIKeyIXNNSGYVYBLMEN-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.41
Rot. Bonds2

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

5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 22310011) has the molecular formula C16H9F3N4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID22310011
Molecular FormulaC16H9F3N4
Molecular Weight314.27 g/mol
Exact Mass314.08
IUPAC Name5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2F)nn(-c2cccc(F)c2)c1N
InChIInChI=1S/C16H9F3N4/c17-9-2-1-3-11(6-9)23-16(21)13(8-20)15(22-23)12-5-4-10(18)7-14(12)19/h1-7H,21H2
InChIKeyIXNNSGYVYBLMEN-UHFFFAOYSA-N
XLogP3.41
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006
5-amino-3-(4-bromophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 129248129
5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 22310003
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273
5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22309790
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
4-(2,4-difluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668757

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile (CID 22310011) is 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(-c2ccc(F)cc2F)nn(-c2cccc(F)c2)c1N.
What is the InChIKey of 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is IXNNSGYVYBLMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4/c17-9-2-1-3-11(6-9)23-16(21)13(8-20)15(22-23)12-5-4-10(18)7-14(12)19/h1-7H,21H2.
What are the key properties of 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 314.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22310011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).