N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide

C23H27N3O4 — CID 19338560

IUPACN-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
SMILESCCOc1ccc(Cn2cc(NC(=O)COc3ccccc3C)cn2)cc1OCC
InChIInChI=1S/C23H27N3O4/c1-4-28-21-11-10-18(12-22(21)29-5-2)14-26-15-19(13-24-26)25-23(27)16-30-20-9-7-6-8-17(20)3/h6-13,15H,4-5,14,16H2,1-3H3,(H,25,27)
InChIKeyXKMHTKICPOUPLX-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.05
Rot. Bonds10

About N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide

N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 19338560) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
PubChem CID19338560
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
SMILESCCOc1ccc(Cn2cc(NC(=O)COc3ccccc3C)cn2)cc1OCC
InChIInChI=1S/C23H27N3O4/c1-4-28-21-11-10-18(12-22(21)29-5-2)14-26-15-19(13-24-26)25-23(27)16-30-20-9-7-6-8-17(20)3/h6-13,15H,4-5,14,16H2,1-3H3,(H,25,27)
InChIKeyXKMHTKICPOUPLX-UHFFFAOYSA-N
XLogP4.05
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea
CID 19344200
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552136
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544108
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19395522
4-chloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477039
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(3-methylphenyl)thiourea
CID 19344175
2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
CID 19410975
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338545
N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 60552750
1-[3-[[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470734
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea
CID 19344201
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19342896

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide (CID 19338560) is N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide is CCOc1ccc(Cn2cc(NC(=O)COc3ccccc3C)cn2)cc1OCC.
What is the InChIKey of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is XKMHTKICPOUPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-28-21-11-10-18(12-22(21)29-5-2)14-26-15-19(13-24-26)25-23(27)16-30-20-9-7-6-8-17(20)3/h6-13,15H,4-5,14,16H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide?
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 409.49 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 19338560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).