2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide

C20H21N3O2 — CID 137498259

IUPAC2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(COc2ccccc2C)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C20H21N3O2/c1-14-6-4-5-7-19(14)25-13-16-8-9-17(15(2)12-16)22-20(24)18-10-11-21-23(18)3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyVSUSITSZTDXMPQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.87
Rot. Bonds5

About 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide

2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 137498259) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID137498259
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(COc2ccccc2C)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C20H21N3O2/c1-14-6-4-5-7-19(14)25-13-16-8-9-17(15(2)12-16)22-20(24)18-10-11-21-23(18)3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyVSUSITSZTDXMPQ-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137498257
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
CID 137425143
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide (CID 137498259) is 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide is Cc1cc(COc2ccccc2C)ccc1NC(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is VSUSITSZTDXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-4-5-7-19(14)25-13-16-8-9-17(15(2)12-16)22-20(24)18-10-11-21-23(18)3/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide?
2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137498259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).