3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide

C16H21N3O2 — CID 110685626

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C16H21N3O2/c1-10-5-7-15(21-4)14(9-10)17-16(20)8-6-13-11(2)18-19-12(13)3/h5,7,9H,6,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyAZYKHSWTPHIRRC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 110685626) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID110685626
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C16H21N3O2/c1-10-5-7-15(21-4)14(9-10)17-16(20)8-6-13-11(2)18-19-12(13)3/h5,7,9H,6,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyAZYKHSWTPHIRRC-UHFFFAOYSA-N
XLogP2.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 5392869
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 27009953
N-(2-methoxy-5-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679084
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 135885940
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 940267

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide (CID 110685626) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is AZYKHSWTPHIRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-5-7-15(21-4)14(9-10)17-16(20)8-6-13-11(2)18-19-12(13)3/h5,7,9H,6,8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 110685626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).