3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide

C14H17N3O2 — CID 61394030

IUPAC3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccn[nH]2)c1C
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-12(11(10)2)19-9-7-14(18)16-13-6-8-15-17-13/h3-6,8H,7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyIQYWUWRJKFIADT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds5

About 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide

3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 61394030) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID61394030
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccn[nH]2)c1C
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-12(11(10)2)19-9-7-14(18)16-13-6-8-15-17-13/h3-6,8H,7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyIQYWUWRJKFIADT-UHFFFAOYSA-N
XLogP2.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393951
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112816929
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31885031

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide (CID 61394030) is 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide is Cc1cccc(OCCC(=O)Nc2ccn[nH]2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is IQYWUWRJKFIADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-3-5-12(11(10)2)19-9-7-14(18)16-13-6-8-15-17-13/h3-6,8H,7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 61394030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).