3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide

C20H21N3O2 — CID 110732503

IUPAC3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(-c3cc(C)[nH]n3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-12-19(23-22-14)16-4-3-5-17(13-16)21-20(24)11-8-15-6-9-18(25-2)10-7-15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOHRSJGDCWQMIAW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.97
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide (PubChem CID 110732503) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
PubChem CID110732503
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(-c3cc(C)[nH]n3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-12-19(23-22-14)16-4-3-5-17(13-16)21-20(24)11-8-15-6-9-18(25-2)10-7-15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOHRSJGDCWQMIAW-UHFFFAOYSA-N
XLogP3.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
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N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
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N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
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4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
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CID 852161

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide (CID 110732503) is 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2cccc(-c3cc(C)[nH]n3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide?
The InChIKey is OHRSJGDCWQMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-19(23-22-14)16-4-3-5-17(13-16)21-20(24)11-8-15-6-9-18(25-2)10-7-15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 110732503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).