3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

C21H22FN3O2 — CID 112816929

IUPAC3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCOc2cccc(C)c2C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22FN3O2/c1-14-5-4-6-19(16(14)3)27-12-11-21(26)23-20-13-15(2)24-25(20)18-9-7-17(22)8-10-18/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyRCXJQCKKOIWUNL-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.34
Rot. Bonds6

About 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 112816929) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
PubChem CID112816929
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCOc2cccc(C)c2C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22FN3O2/c1-14-5-4-6-19(16(14)3)27-12-11-21(26)23-20-13-15(2)24-25(20)18-9-7-17(22)8-10-18/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyRCXJQCKKOIWUNL-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-phenoxypropanoate
CID 24570195
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841934
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 41285441
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride
CID 119680110
3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112805936
3-(2,4-dimethylphenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55579810
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 24569367
3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 38766462

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (CID 112816929) is 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCOc2cccc(C)c2C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is RCXJQCKKOIWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-5-4-6-19(16(14)3)27-12-11-21(26)23-20-13-15(2)24-25(20)18-9-7-17(22)8-10-18/h4-10,13H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 367.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 112816929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).