N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide

C12H8ClFN4O — CID 141326633

IUPACN-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(Cl)c(C#N)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN4O/c1-7(19)16-12-11(13)10(6-15)17-18(12)9-4-2-8(14)3-5-9/h2-5H,1H3,(H,16,19)
InChIKeyWQTNCAVOEQSKGG-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.49
Rot. Bonds2

About N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide

N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide (PubChem CID 141326633) has the molecular formula C12H8ClFN4O and a molecular weight of 278.67 g/mol. Its IUPAC name is N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide
PubChem CID141326633
Molecular FormulaC12H8ClFN4O
Molecular Weight278.67 g/mol
Exact Mass278.04
IUPAC NameN-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(Cl)c(C#N)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN4O/c1-7(19)16-12-11(13)10(6-15)17-18(12)9-4-2-8(14)3-5-9/h2-5H,1H3,(H,16,19)
InChIKeyWQTNCAVOEQSKGG-UHFFFAOYSA-N
XLogP2.49
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide (CID 141326633) is N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide is CC(=O)Nc1c(Cl)c(C#N)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide?
The InChIKey is WQTNCAVOEQSKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O/c1-7(19)16-12-11(13)10(6-15)17-18(12)9-4-2-8(14)3-5-9/h2-5H,1H3,(H,16,19).
What are the key properties of N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide?
N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide has a molecular weight of 278.67 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 141326633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).