2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

C20H21N3O3 — CID 42687579

IUPAC2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccc(OC)cc3)n[nH]c2C)cc1
InChIInChI=1S/C20H21N3O3/c1-13-19(20(23-22-13)15-6-10-17(26-3)11-7-15)21-18(24)12-14-4-8-16(25-2)9-5-14/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDTXREXNKAQGNLJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 42687579) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID42687579
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccc(OC)cc3)n[nH]c2C)cc1
InChIInChI=1S/C20H21N3O3/c1-13-19(20(23-22-13)15-6-10-17(26-3)11-7-15)21-18(24)12-14-4-8-16(25-2)9-5-14/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDTXREXNKAQGNLJ-UHFFFAOYSA-N
XLogP3.58
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 42874156
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
N-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 51048605
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 75489297
2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686366
N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 42687612
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686342
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (CID 42687579) is 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is COc1ccc(CC(=O)Nc2c(-c3ccc(OC)cc3)n[nH]c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is DTXREXNKAQGNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-19(20(23-22-13)15-6-10-17(26-3)11-7-15)21-18(24)12-14-4-8-16(25-2)9-5-14/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42687579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).