N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide

C20H21N3O4 — CID 53198463

IUPACN-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2c(NC(=O)c3ccccc3OC)n[nH]c2C)cc1OC
InChIInChI=1S/C20H21N3O4/c1-12-18(13-9-10-16(26-3)17(11-13)27-4)19(23-22-12)21-20(24)14-7-5-6-8-15(14)25-2/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyBZOLJTLPZOXMAU-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 53198463) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
PubChem CID53198463
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2c(NC(=O)c3ccccc3OC)n[nH]c2C)cc1OC
InChIInChI=1S/C20H21N3O4/c1-12-18(13-9-10-16(26-3)17(11-13)27-4)19(23-22-12)21-20(24)14-7-5-6-8-15(14)25-2/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeyBZOLJTLPZOXMAU-UHFFFAOYSA-N
XLogP3.66
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide
CID 53198450
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
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 N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide (CID 53198463) is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide is COc1ccc(-c2c(NC(=O)c3ccccc3OC)n[nH]c2C)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is BZOLJTLPZOXMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-18(13-9-10-16(26-3)17(11-13)27-4)19(23-22-12)21-20(24)14-7-5-6-8-15(14)25-2/h5-11H,1-4H3,(H2,21,22,23,24).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide?
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 367.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 53198463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).