2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide

C20H19ClFN3O2 — CID 100829206

IUPAC2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
SMILESO=C(COc1nn(-c2ccccc2)cc1Cl)NCCCc1ccccc1F
InChIInChI=1S/C20H19ClFN3O2/c21-17-13-25(16-9-2-1-3-10-16)24-20(17)27-14-19(26)23-12-6-8-15-7-4-5-11-18(15)22/h1-5,7,9-11,13H,6,8,12,14H2,(H,23,26)
InChIKeyWFZUJDPJVDYJML-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.79
Rot. Bonds8

About 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide (PubChem CID 100829206) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
PubChem CID100829206
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
SMILESO=C(COc1nn(-c2ccccc2)cc1Cl)NCCCc1ccccc1F
InChIInChI=1S/C20H19ClFN3O2/c21-17-13-25(16-9-2-1-3-10-16)24-20(17)27-14-19(26)23-12-6-8-15-7-4-5-11-18(15)22/h1-5,7,9-11,13H,6,8,12,14H2,(H,23,26)
InChIKeyWFZUJDPJVDYJML-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138786
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
CID 100829183
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 55719016
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138808
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 171132838
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide (CID 100829206) is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide is O=C(COc1nn(-c2ccccc2)cc1Cl)NCCCc1ccccc1F.
What is the InChIKey of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide?
The InChIKey is WFZUJDPJVDYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c21-17-13-25(16-9-2-1-3-10-16)24-20(17)27-14-19(26)23-12-6-8-15-7-4-5-11-18(15)22/h1-5,7,9-11,13H,6,8,12,14H2,(H,23,26).
What are the key properties of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide?
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide has a molecular weight of 387.84 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 100829206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).