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

C21H23N3O2 — CID 19272772

IUPAC1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C21H23N3O2/c1-14-8-9-15(2)19(12-14)26-13-24-11-10-18(23-24)21(25)22-20-16(3)6-5-7-17(20)4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyBTJGSDDLOHUXTJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.41
Rot. Bonds5

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

1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide (PubChem CID 19272772) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
PubChem CID19272772
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C21H23N3O2/c1-14-8-9-15(2)19(12-14)26-13-24-11-10-18(23-24)21(25)22-20-16(3)6-5-7-17(20)4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyBTJGSDDLOHUXTJ-UHFFFAOYSA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
1-[(3,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19276149
1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
N-(cyclopropylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756234
N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776497
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19272941
N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19272770
1-[(2,3-dichlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19269620
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776790
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide (CID 19272772) is 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide is Cc1ccc(C)c(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide?
The InChIKey is BTJGSDDLOHUXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-8-9-15(2)19(12-14)26-13-24-11-10-18(23-24)21(25)22-20-16(3)6-5-7-17(20)4/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide?
1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19272772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).