3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide

C13H15N3O2 — CID 61393951

IUPAC3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-10-2-4-11(5-3-10)18-9-7-13(17)15-12-6-8-14-16-12/h2-6,8H,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyCIEVXPRAAHXVCH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds5

About 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide

3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 61393951) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID61393951
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-10-2-4-11(5-3-10)18-9-7-13(17)15-12-6-8-14-16-12/h2-6,8H,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyCIEVXPRAAHXVCH-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-(4-methoxyphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393499
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61394030
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927615
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
2-[3-(3,4-dimethylphenoxy)propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
CID 86891039
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide (CID 61393951) is 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide is Cc1ccc(OCCC(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is CIEVXPRAAHXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-2-4-11(5-3-10)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-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide?
3-(4-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-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 61393951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).