2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide

C25H23N3O3 — CID 50802659

IUPAC2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-18-7-6-8-19(15-18)23-16-24(28(27-23)20-9-4-3-5-10-20)26-25(29)17-31-22-13-11-21(30-2)12-14-22/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyGHWMQCCQOOUCKP-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.87
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide

2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 50802659) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
PubChem CID50802659
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-18-7-6-8-19(15-18)23-16-24(28(27-23)20-9-4-3-5-10-20)26-25(29)17-31-22-13-11-21(30-2)12-14-22/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyGHWMQCCQOOUCKP-UHFFFAOYSA-N
XLogP4.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide
CID 50802676
N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087824
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 1052133
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
3-methoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42731959
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 42741085
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide (CID 50802659) is 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide is COc1ccc(OCC(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is GHWMQCCQOOUCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-18-7-6-8-19(15-18)23-16-24(28(27-23)20-9-4-3-5-10-20)26-25(29)17-31-22-13-11-21(30-2)12-14-22/h3-16H,17H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 50802659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).