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

C13H15N3O2 — CID 61393959

IUPAC3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESCc1ccccc1OCCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H15N3O2/c1-10-4-2-3-5-11(10)18-9-7-13(17)15-12-6-8-14-16-12/h2-6,8H,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyYYAXTFHMHDWGIF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds5

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

3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 61393959) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID61393959
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESCc1ccccc1OCCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H15N3O2/c1-10-4-2-3-5-11(10)18-9-7-13(17)15-12-6-8-14-16-12/h2-6,8H,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyYYAXTFHMHDWGIF-UHFFFAOYSA-N
XLogP2.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61394030
3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393951
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 60968243
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393750
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide (CID 61393959) is 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide is Cc1ccccc1OCCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is YYAXTFHMHDWGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-4-2-3-5-11(10)18-9-7-13(17)15-12-6-8-14-16-12/h2-6,8H,7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 245.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 61393959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).