1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide

C21H23N3O4 — CID 19277139

IUPAC1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1OCn1ccc(C(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C21H23N3O4/c1-14-8-9-15(2)17(12-14)22-21(25)16-10-11-24(23-16)13-28-20-18(26-3)6-5-7-19(20)27-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyXNVPKVIDBGZHMO-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.81
Rot. Bonds7

About 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide

1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide (PubChem CID 19277139) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
PubChem CID19277139
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1OCn1ccc(C(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C21H23N3O4/c1-14-8-9-15(2)17(12-14)22-21(25)16-10-11-24(23-16)13-28-20-18(26-3)6-5-7-19(20)27-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyXNVPKVIDBGZHMO-UHFFFAOYSA-N
XLogP3.81
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,3-dichlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19269620
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277201
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
CID 19277075
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515
1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19272772
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide (CID 19277139) is 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide is COc1cccc(OC)c1OCn1ccc(C(=O)Nc2cc(C)ccc2C)n1.
What is the InChIKey of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
The InChIKey is XNVPKVIDBGZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-8-9-15(2)17(12-14)22-21(25)16-10-11-24(23-16)13-28-20-18(26-3)6-5-7-19(20)27-4/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of 1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.81, 7 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-(2,5-dimethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19277139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).