2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide

C20H20ClN3O2 — CID 86965050

IUPAC2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H20ClN3O2/c1-20(2,26-18-9-4-7-16(21)13-18)19(25)22-14-15-6-3-8-17(12-15)24-11-5-10-23-24/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyLFIRBXFCGXHESS-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.00
Rot. Bonds6

About 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide

2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide (PubChem CID 86965050) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
PubChem CID86965050
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H20ClN3O2/c1-20(2,26-18-9-4-7-16(21)13-18)19(25)22-14-15-6-3-8-17(12-15)24-11-5-10-23-24/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyLFIRBXFCGXHESS-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1H-pyrazol-4-yl)-2-(2-chlorophenoxy)acetamide
CID 832073
2-(4-chlorophenoxy)-N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]acetamide
CID 1017922
2-(3-Chlorophenoxy)-n-{1-[3-(1h-pyrrol-1-yl)benzyl]piperidin-4-yl}acetamide
CID 11604236
5-Chloro-4-(4-methoxyphenoxy)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one
CID 53338905
2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 2970278
US10781181, Example 39
CID 121364647
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 9501782
2-phenoxy-N-[4-(4-{[3-(1H-pyrazol-1-yl)benzyl]amino}-1-piperidinyl)phenyl]acetamide
CID 26342926
2-(4-Chlorophenoxy)-1-{4-[1-(3-fluorophenyl)-1H-pyrazol-4-YL]piperidin-1-YL}ethan-1-one
CID 71842281
2-(2,4-difluorophenoxy)-N-{1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}acetamide
CID 72930936
2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 2424036
2-(4-chlorophenoxy)-N-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)acetamide
CID 19288381

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide (CID 86965050) is 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide is CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
The InChIKey is LFIRBXFCGXHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-20(2,26-18-9-4-7-16(21)13-18)19(25)22-14-15-6-3-8-17(12-15)24-11-5-10-23-24/h3-13H,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 86965050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).