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

C17H23N3O2 — CID 86788482

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)C(C)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C17H23N3O2/c1-5-9-22-15-8-6-7-14(10-15)18-17(21)11(2)16-12(3)19-20-13(16)4/h6-8,10-11H,5,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyOQFHYPBGLFMCFI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.56
Rot. Bonds6

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide (PubChem CID 86788482) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide
PubChem CID86788482
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)C(C)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C17H23N3O2/c1-5-9-22-15-8-6-7-14(10-15)18-17(21)11(2)16-12(3)19-20-13(16)4/h6-8,10-11H,5,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyOQFHYPBGLFMCFI-UHFFFAOYSA-N
XLogP3.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
CID 119715007
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704
1-[(3R)-4-methylpent-1-yn-3-yl]-3-(3-propoxyphenyl)urea
CID 124885324
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
CID 97099240
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide (CID 86788482) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide is CCCOc1cccc(NC(=O)C(C)c2c(C)n[nH]c2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide?
The InChIKey is OQFHYPBGLFMCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-9-22-15-8-6-7-14(10-15)18-17(21)11(2)16-12(3)19-20-13(16)4/h6-8,10-11H,5,9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide is sourced from PubChem (CID 86788482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).