[4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate

C22H22FN3O3 — CID 46013269

IUPAC[4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate
SMILESCCCc1nn(-c2cccc(F)c2)c(OC(C)=O)c1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H22FN3O3/c1-4-6-20-21(16-9-11-18(12-10-16)24-14(2)27)22(29-15(3)28)26(25-20)19-8-5-7-17(23)13-19/h5,7-13H,4,6H2,1-3H3,(H,24,27)
InChIKeyWBBRYTYTLOGUJD-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.51
Rot. Bonds6

About [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate

[4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate (PubChem CID 46013269) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate.

Molecular Properties

Compound Name[4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate
PubChem CID46013269
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate
SMILESCCCc1nn(-c2cccc(F)c2)c(OC(C)=O)c1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H22FN3O3/c1-4-6-20-21(16-9-11-18(12-10-16)24-14(2)27)22(29-15(3)28)26(25-20)19-8-5-7-17(23)13-19/h5,7-13H,4,6H2,1-3H3,(H,24,27)
InChIKeyWBBRYTYTLOGUJD-UHFFFAOYSA-N
XLogP4.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-Dimethoxyphenyl)-4-(4-acetamidophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-YL acetate
CID 46013595
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-phenylbutanoate
CID 11966067
[2-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate
CID 11966068
1-(4-Fluorophenyl)-3-(4-methylphenyl)-4-(4-propanamidophenyl)-1H-pyrazol-5-YL acetate
CID 46013535
1,3-Bis(4-fluorophenyl)-4-[4-(3-methylbutanamido)phenyl]-1H-pyrazol-5-YL acetate
CID 46013731
4-(4-Acetamidophenyl)-1-(3-fluorophenyl)-3-(propan-2-YL)-1H-pyrazol-5-YL acetate
CID 46013788
4-(4-Acetamidophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-1H-pyrazol-5-YL acetate
CID 46013851
N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 44291673
4-Benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole
CID 118430639
(5-Methyl-2-phenylpyrazol-3-yl) 3-fluorobenzoate
CID 2799377
4-(4-Cyclopropaneamidophenyl)-3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-YL acetate
CID 46013400

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate?
The IUPAC name of [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate (CID 46013269) is [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate.
What is the SMILES notation for [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate?
The canonical SMILES for [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate is CCCc1nn(-c2cccc(F)c2)c(OC(C)=O)c1-c1ccc(NC(C)=O)cc1.
What is the InChIKey of [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate?
The InChIKey is WBBRYTYTLOGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-4-6-20-21(16-9-11-18(12-10-16)24-14(2)27)22(29-15(3)28)26(25-20)19-8-5-7-17(23)13-19/h5,7-13H,4,6H2,1-3H3,(H,24,27).
What are the key properties of [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate?
[4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate has a molecular weight of 395.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetamidophenyl)-1-(3-fluorophenyl)-3-propylpyrazol-5-yl] acetate is sourced from PubChem (CID 46013269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).