1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide

C21H23N3O4 — CID 19277075

IUPAC1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccn(COc3c(OC)cccc3OC)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-4-15-8-10-16(11-9-15)22-21(25)17-12-13-24(23-17)14-28-20-18(26-2)6-5-7-19(20)27-3/h5-13H,4,14H2,1-3H3,(H,22,25)
InChIKeyAWJSGGHTBOINFH-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.75
Rot. Bonds8

About 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide

1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide (PubChem CID 19277075) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
PubChem CID19277075
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccn(COc3c(OC)cccc3OC)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-4-15-8-10-16(11-9-15)22-21(25)17-12-13-24(23-17)14-28-20-18(26-2)6-5-7-19(20)27-3/h5-13H,4,14H2,1-3H3,(H,22,25)
InChIKeyAWJSGGHTBOINFH-UHFFFAOYSA-N
XLogP3.75
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277262
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277219
1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19277139
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277268
ethyl 2-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19277112
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277213
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277281
diethyl 5-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19277062
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277195
1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277188
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide (CID 19277075) is 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide is CCc1ccc(NC(=O)c2ccn(COc3c(OC)cccc3OC)n2)cc1.
What is the InChIKey of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide?
The InChIKey is AWJSGGHTBOINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-15-8-10-16(11-9-15)22-21(25)17-12-13-24(23-17)14-28-20-18(26-2)6-5-7-19(20)27-3/h5-13H,4,14H2,1-3H3,(H,22,25).
What are the key properties of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide?
1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19277075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).