2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide

C20H21N3O2 — CID 95744739

IUPAC2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(CCc3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-19-9-7-17(8-10-19)13-20(24)22-18-14-21-23(15-18)12-11-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,22,24)
InChIKeyLMJPEWORBUWROD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide

2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide (PubChem CID 95744739) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
PubChem CID95744739
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(CCc3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-19-9-7-17(8-10-19)13-20(24)22-18-14-21-23(15-18)12-11-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,22,24)
InChIKeyLMJPEWORBUWROD-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 39853189
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744588
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide (CID 95744739) is 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide is COc1ccc(CC(=O)Nc2cnn(CCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
The InChIKey is LMJPEWORBUWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-19-9-7-17(8-10-19)13-20(24)22-18-14-21-23(15-18)12-11-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 95744739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).