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

C16H21N3O2 — CID 110685624

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-14(15)17-16(20)10-9-13-11(2)18-19-12(13)3/h5-8H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNUQJJTKYOOZNIB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds6

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide (PubChem CID 110685624) 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-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
PubChem CID110685624
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-14(15)17-16(20)10-9-13-11(2)18-19-12(13)3/h5-8H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNUQJJTKYOOZNIB-UHFFFAOYSA-N
XLogP3.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 849126
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 110685626
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 90507372
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-ethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
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3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide
CID 20863084
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100573859
CID 174193763
CID 174193763
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide (CID 110685624) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is NUQJJTKYOOZNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-14(15)17-16(20)10-9-13-11(2)18-19-12(13)3/h5-8H,4,9-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 3.00, 6 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-ethoxyphenyl)propanamide is sourced from PubChem (CID 110685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).