3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide

C23H27N3O2 — CID 47089574

IUPAC3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
SMILESCc1cccc(C)c1OCCC(=O)NC(C)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C23H27N3O2/c1-16-9-8-10-17(2)23(16)28-14-13-22(27)25-18(3)21-15-24-26(19(21)4)20-11-6-5-7-12-20/h5-12,15,18H,13-14H2,1-4H3,(H,25,27)
InChIKeyCBCAKMSZCKYMHN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.44
Rot. Bonds7

About 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide

3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide (PubChem CID 47089574) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
PubChem CID47089574
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
SMILESCc1cccc(C)c1OCCC(=O)NC(C)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C23H27N3O2/c1-16-9-8-10-17(2)23(16)28-14-13-22(27)25-18(3)21-15-24-26(19(21)4)20-11-6-5-7-12-20/h5-12,15,18H,13-14H2,1-4H3,(H,25,27)
InChIKeyCBCAKMSZCKYMHN-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-3-phenoxypropanamide
CID 47023026
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CID 97148707
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
CID 97212156
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 45239752
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-oxo-4-phenylbutanamide
CID 97145584
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 42566503
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 55579208
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide (CID 47089574) is 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide is Cc1cccc(C)c1OCCC(=O)NC(C)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is CBCAKMSZCKYMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-9-8-10-17(2)23(16)28-14-13-22(27)25-18(3)21-15-24-26(19(21)4)20-11-6-5-7-12-20/h5-12,15,18H,13-14H2,1-4H3,(H,25,27).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide?
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 47089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).