N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide

C19H15FN4O — CID 136664318

IUPACN-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccc(F)cc2)nn1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H15FN4O/c1-13-9-18(15-5-7-16(20)8-6-15)23-24(13)12-19(25)22-17-4-2-3-14(10-17)11-21/h2-10H,12H2,1H3,(H,22,25)
InChIKeySWTFBRXCNFUIFA-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.51
Rot. Bonds4

About N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide

N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 136664318) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID136664318
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC NameN-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccc(F)cc2)nn1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H15FN4O/c1-13-9-18(15-5-7-16(20)8-6-15)23-24(13)12-19(25)22-17-4-2-3-14(10-17)11-21/h2-10H,12H2,1H3,(H,22,25)
InChIKeySWTFBRXCNFUIFA-UHFFFAOYSA-N
XLogP3.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-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-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide (CID 136664318) is N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(-c2ccc(F)cc2)nn1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is SWTFBRXCNFUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-13-9-18(15-5-7-16(20)8-6-15)23-24(13)12-19(25)22-17-4-2-3-14(10-17)11-21/h2-10H,12H2,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 334.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 136664318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).