N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide

C21H23N3O3 — CID 19335776

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C21H23N3O3/c1-14-20(15(2)24(23-14)13-16-8-6-5-7-9-16)22-21(25)17-10-18(26-3)12-19(11-17)27-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyLJDZYTUXDSCLJQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.82
Rot. Bonds6

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide (PubChem CID 19335776) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
PubChem CID19335776
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C21H23N3O3/c1-14-20(15(2)24(23-14)13-16-8-6-5-7-9-16)22-21(25)17-10-18(26-3)12-19(11-17)27-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyLJDZYTUXDSCLJQ-UHFFFAOYSA-N
XLogP3.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19407877
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19402023
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19393901
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408425
4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
2-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 39853221

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide (CID 19335776) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide?
The InChIKey is LJDZYTUXDSCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-20(15(2)24(23-14)13-16-8-6-5-7-9-16)22-21(25)17-10-18(26-3)12-19(11-17)27-4/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide has a molecular weight of 365.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 19335776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).