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

C20H19ClFN3O2 — CID 42874098

IUPAC2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-2-4-17-20(19(25-24-17)13-5-3-6-15(22)11-13)23-18(26)12-27-16-9-7-14(21)8-10-16/h3,5-11H,2,4,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyCMULWFSRUXSGCZ-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.84
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide (PubChem CID 42874098) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
PubChem CID42874098
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-2-4-17-20(19(25-24-17)13-5-3-6-15(22)11-13)23-18(26)12-27-16-9-7-14(21)8-10-16/h3,5-11H,2,4,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyCMULWFSRUXSGCZ-UHFFFAOYSA-N
XLogP4.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-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

Related Compounds

4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686085
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874335

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide (CID 42874098) is 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is CMULWFSRUXSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-2-4-17-20(19(25-24-17)13-5-3-6-15(22)11-13)23-18(26)12-27-16-9-7-14(21)8-10-16/h3,5-11H,2,4,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 387.84 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42874098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).