N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide

C19H27N3O2 — CID 55726149

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2cc(C)nn2C(C)(C)C)c(C)c1
InChIInChI=1S/C19H27N3O2/c1-13-7-8-16(14(2)11-13)24-10-9-18(23)20-17-12-15(3)21-22(17)19(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,20,23)
InChIKeyDWUDUMXHNICVAW-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.97
Rot. Bonds5

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide (PubChem CID 55726149) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide
PubChem CID55726149
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2cc(C)nn2C(C)(C)C)c(C)c1
InChIInChI=1S/C19H27N3O2/c1-13-7-8-16(14(2)11-13)24-10-9-18(23)20-17-12-15(3)21-22(17)19(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,20,23)
InChIKeyDWUDUMXHNICVAW-UHFFFAOYSA-N
XLogP3.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55579810
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
3-(2,4-dimethylphenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide
CID 134043223
3-(2,4-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 94281950
N-(5-bromo-2-pyridinyl)-3-(2,4-dimethylphenoxy)propanamide
CID 55756614
3-(2,4-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341084
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599
dimethyl 5-[3-(2,4-dimethylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 30839966
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
3-(2,4-dimethylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 39639959
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide (CID 55726149) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide is Cc1ccc(OCCC(=O)Nc2cc(C)nn2C(C)(C)C)c(C)c1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide?
The InChIKey is DWUDUMXHNICVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-7-8-16(14(2)11-13)24-10-9-18(23)20-17-12-15(3)21-22(17)19(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,20,23).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide has a molecular weight of 329.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 55726149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).