3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide

C20H21N3O3 — CID 53197830

IUPAC3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(C)c2)c1
InChIInChI=1S/C20H21N3O3/c1-12-6-5-7-14(8-12)18-13(2)22-23-19(18)21-20(24)15-9-16(25-3)11-17(10-15)26-4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyVQYVMQSMJUNRRF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.96
Rot. Bonds5

About 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide

3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 53197830) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID53197830
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(C)c2)c1
InChIInChI=1S/C20H21N3O3/c1-12-6-5-7-14(8-12)18-13(2)22-23-19(18)21-20(24)15-9-16(25-3)11-17(10-15)26-4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyVQYVMQSMJUNRRF-UHFFFAOYSA-N
XLogP3.96
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197846
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 138020489
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198503
N-[4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167792873
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
4-bromo-N-[4-(3,4-diethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide
CID 53206436

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide (CID 53197830) is 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(C)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is VQYVMQSMJUNRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-6-5-7-14(8-12)18-13(2)22-23-19(18)21-20(24)15-9-16(25-3)11-17(10-15)26-4/h5-11H,1-4H3,(H2,21,22,23,24).
What are the key properties of 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53197830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).