N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide

C20H21N3O3 — CID 134710429

IUPACN-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2c(C)nn(C)c2NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-19(15-9-11-16(25-3)12-10-15)20(23(2)22-14)21-18(24)13-26-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyMMKFASNTVLANNL-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.42
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide

N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide (PubChem CID 134710429) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
PubChem CID134710429
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2c(C)nn(C)c2NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-19(15-9-11-16(25-3)12-10-15)20(23(2)22-14)21-18(24)13-26-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyMMKFASNTVLANNL-UHFFFAOYSA-N
XLogP3.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 56536068
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-methylimidazol-1-yl)acetamide
CID 134704405
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea
CID 97279827

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide (CID 134710429) is N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide is COc1ccc(-c2c(C)nn(C)c2NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide?
The InChIKey is MMKFASNTVLANNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-19(15-9-11-16(25-3)12-10-15)20(23(2)22-14)21-18(24)13-26-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide?
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide has a molecular weight of 351.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 134710429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).