2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile

C12H12FN5 — CID 43580488

IUPAC2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
SMILESCc1nn(C)c(Nc2cccc(F)c2C#N)c1N
InChIInChI=1S/C12H12FN5/c1-7-11(15)12(18(2)17-7)16-10-5-3-4-9(13)8(10)6-14/h3-5,16H,15H2,1-2H3
InChIKeyLSLOUHTVWGIADW-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.07
Rot. Bonds2

About 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile

2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile (PubChem CID 43580488) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
PubChem CID43580488
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
SMILESCc1nn(C)c(Nc2cccc(F)c2C#N)c1N
InChIInChI=1S/C12H12FN5/c1-7-11(15)12(18(2)17-7)16-10-5-3-4-9(13)8(10)6-14/h3-5,16H,15H2,1-2H3
InChIKeyLSLOUHTVWGIADW-UHFFFAOYSA-N
XLogP2.07
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]benzonitrile
CID 43554163
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
CID 43554200
2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 43580157
5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43555541
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554203
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
CID 80792103
2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 78916028
5-N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 65469847
2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]-6-fluorobenzonitrile
CID 133325659
2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80793758
2-fluoro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]benzonitrile
CID 113345409

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile (CID 43580488) is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile is Cc1nn(C)c(Nc2cccc(F)c2C#N)c1N.
What is the InChIKey of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile?
The InChIKey is LSLOUHTVWGIADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c1-7-11(15)12(18(2)17-7)16-10-5-3-4-9(13)8(10)6-14/h3-5,16H,15H2,1-2H3.
What are the key properties of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile?
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile has a molecular weight of 245.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 43580488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).