2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile

C14H15FN4 — CID 43580157

IUPAC2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
SMILESCc1nn(C)c(C)c1CNc1cccc(F)c1C#N
InChIInChI=1S/C14H15FN4/c1-9-12(10(2)19(3)18-9)8-17-14-6-4-5-13(15)11(14)7-16/h4-6,17H,8H2,1-3H3
InChIKeyUBYROTNIYQGPTG-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds3

About 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile

2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile (PubChem CID 43580157) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
PubChem CID43580157
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
SMILESCc1nn(C)c(C)c1CNc1cccc(F)c1C#N
InChIInChI=1S/C14H15FN4/c1-9-12(10(2)19(3)18-9)8-17-14-6-4-5-13(15)11(14)7-16/h4-6,17H,8H2,1-3H3
InChIKeyUBYROTNIYQGPTG-UHFFFAOYSA-N
XLogP2.66
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]benzonitrile
CID 113345409
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
CID 43580488
3-chloro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 79236702
4-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 114901997
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 126842216
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-bromo-4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28938789

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile (CID 43580157) is 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile is Cc1nn(C)c(C)c1CNc1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile?
The InChIKey is UBYROTNIYQGPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-9-12(10(2)19(3)18-9)8-17-14-6-4-5-13(15)11(14)7-16/h4-6,17H,8H2,1-3H3.
What are the key properties of 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile?
2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile is sourced from PubChem (CID 43580157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).