N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide

C20H21N3O3 — CID 5221404

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H21N3O3/c1-13-19(14(2)23(22-13)16-8-6-5-7-9-16)21-20(24)15-10-17(25-3)12-18(11-15)26-4/h5-12H,1-4H3,(H,21,24)
InChIKeyCUFICIKTKXANJO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.76
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide (PubChem CID 5221404) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide
PubChem CID5221404
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H21N3O3/c1-13-19(14(2)23(22-13)16-8-6-5-7-9-16)21-20(24)15-10-17(25-3)12-18(11-15)26-4/h5-12H,1-4H3,(H,21,24)
InChIKeyCUFICIKTKXANJO-UHFFFAOYSA-N
XLogP3.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
CID 743712
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792771
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 39854197
N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 134136014
1-(2,6-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 897075
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9116260
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3,5-dihydroxybenzohydrazide
CID 17126791
(3,5-Dimethoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 754128

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide (CID 5221404) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide?
The InChIKey is CUFICIKTKXANJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-19(14(2)23(22-13)16-8-6-5-7-9-16)21-20(24)15-10-17(25-3)12-18(11-15)26-4/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 5221404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).