5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile

C12H8FN5 — CID 2444887

IUPAC5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#CCc1nn(-c2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C12H8FN5/c13-8-1-3-9(4-2-8)18-12(16)10(7-15)11(17-18)5-6-14/h1-4H,5,16H2
InChIKeyRSFIIOTVZILTGF-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.53
Rot. Bonds2

About 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile

5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 2444887) has the molecular formula C12H8FN5 and a molecular weight of 241.23 g/mol. Its IUPAC name is 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID2444887
Molecular FormulaC12H8FN5
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Name5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#CCc1nn(-c2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C12H8FN5/c13-8-1-3-9(4-2-8)18-12(16)10(7-15)11(17-18)5-6-14/h1-4H,5,16H2
InChIKeyRSFIIOTVZILTGF-UHFFFAOYSA-N
XLogP1.53
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile 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

5-amino-1-(4-fluorophenyl)-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propyl]pyrazole-4-carbonitrile
CID 133371528
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoylamino]propanoic acid
CID 122019327
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-methyl-3-propylguanidine
CID 111227471
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)acetamide
CID 39002853
5-amino-1-(4-fluorophenyl)-3-[3-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propyl]pyrazole-4-carbonitrile
CID 60561472
2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-butylguanidine
CID 111823419
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55853502
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-methylsulfonylbenzenesulfonamide
CID 55906732

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile (CID 2444887) is 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile is N#CCc1nn(-c2ccc(F)cc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is RSFIIOTVZILTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5/c13-8-1-3-9(4-2-8)18-12(16)10(7-15)11(17-18)5-6-14/h1-4H,5,16H2.
What are the key properties of 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 241.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 2444887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).