N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide

C21H22N4O3 — CID 137498257

IUPACN-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2C)ccc(NC(=O)c2ccnn2C)c1C
InChIInChI=1S/C21H22N4O3/c1-13-7-5-6-8-16(13)23-20(26)15-9-10-17(14(2)19(15)28-4)24-21(27)18-11-12-22-25(18)3/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeyDMGTZKVROLIWAI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.55
Rot. Bonds5

About N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide

N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 137498257) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID137498257
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2C)ccc(NC(=O)c2ccnn2C)c1C
InChIInChI=1S/C21H22N4O3/c1-13-7-5-6-8-16(13)23-20(26)15-9-10-17(14(2)19(15)28-4)24-21(27)18-11-12-22-25(18)3/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeyDMGTZKVROLIWAI-UHFFFAOYSA-N
XLogP3.55
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
CID 137498259
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 169307844
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272535
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide (CID 137498257) is N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide is COc1c(C(=O)Nc2ccccc2C)ccc(NC(=O)c2ccnn2C)c1C.
What is the InChIKey of N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is DMGTZKVROLIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-7-5-6-8-16(13)23-20(26)15-9-10-17(14(2)19(15)28-4)24-21(27)18-11-12-22-25(18)3/h5-12H,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137498257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).