3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C20H20ClN3O2 — CID 47026270

IUPAC3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-23(20(25)11-12-26-19-10-6-5-9-18(19)21)14-16-13-22-24(15-16)17-7-3-2-4-8-17/h2-10,13,15H,11-12,14H2,1H3
InChIKeyJEYUTSUAKWFYRA-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.95
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 47026270) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID47026270
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-23(20(25)11-12-26-19-10-6-5-9-18(19)21)14-16-13-22-24(15-16)17-7-3-2-4-8-17/h2-10,13,15H,11-12,14H2,1H3
InChIKeyJEYUTSUAKWFYRA-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18167229
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648761
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 47026270) is 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is JEYUTSUAKWFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-23(20(25)11-12-26-19-10-6-5-9-18(19)21)14-16-13-22-24(15-16)17-7-3-2-4-8-17/h2-10,13,15H,11-12,14H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 47026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).