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

C17H12F2N4 — CID 22310006

IUPAC5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1ccccc1-n1nc(-c2ccc(F)cc2F)c(C#N)c1N
InChIInChI=1S/C17H12F2N4/c1-10-4-2-3-5-15(10)23-17(21)13(9-20)16(22-23)12-7-6-11(18)8-14(12)19/h2-8H,21H2,1H3
InChIKeyMUMSFHJNWWLJEO-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.58
Rot. Bonds2

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

5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 22310006) has the molecular formula C17H12F2N4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
PubChem CID22310006
Molecular FormulaC17H12F2N4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1ccccc1-n1nc(-c2ccc(F)cc2F)c(C#N)c1N
InChIInChI=1S/C17H12F2N4/c1-10-4-2-3-5-15(10)23-17(21)13(9-20)16(22-23)12-7-6-11(18)8-14(12)19/h2-8H,21H2,1H3
InChIKeyMUMSFHJNWWLJEO-UHFFFAOYSA-N
XLogP3.58
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
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-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile
CID 22309901
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
CID 129248073
5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22309790
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-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
CID 102796647

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile (CID 22310006) is 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile is Cc1ccccc1-n1nc(-c2ccc(F)cc2F)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is MUMSFHJNWWLJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4/c1-10-4-2-3-5-15(10)23-17(21)13(9-20)16(22-23)12-7-6-11(18)8-14(12)19/h2-8H,21H2,1H3.
What are the key properties of 5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 310.31 g/mol, XLogP of 3.58, 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-(2-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22310006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).