N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide

C21H22FN3O — CID 42686439

IUPACN-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCCc1n[nH]c(CCc2ccccc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-2-18-21(23-20(26)14-16-8-11-17(22)12-9-16)19(25-24-18)13-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyRJFXIVVZSKWUNG-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.08
Rot. Bonds7

About N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide

N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 42686439) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID42686439
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCCc1n[nH]c(CCc2ccccc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-2-18-21(23-20(26)14-16-8-11-17(22)12-9-16)19(25-24-18)13-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyRJFXIVVZSKWUNG-UHFFFAOYSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide (CID 42686439) is N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide is CCc1n[nH]c(CCc2ccccc2)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RJFXIVVZSKWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-2-18-21(23-20(26)14-16-8-11-17(22)12-9-16)19(25-24-18)13-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42686439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).