2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide

C17H23N3O3 — CID 13239364

IUPAC2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide
SMILESCCC(C)(C)c1cc(NC(=O)c2c(OC)cccc2OC)n[nH]1
InChIInChI=1S/C17H23N3O3/c1-6-17(2,3)13-10-14(20-19-13)18-16(21)15-11(22-4)8-7-9-12(15)23-5/h7-10H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyKHEHDYDAUMCQBM-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.37
Rot. Bonds6

About 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide

2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide (PubChem CID 13239364) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide
PubChem CID13239364
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide
SMILESCCC(C)(C)c1cc(NC(=O)c2c(OC)cccc2OC)n[nH]1
InChIInChI=1S/C17H23N3O3/c1-6-17(2,3)13-10-14(20-19-13)18-16(21)15-11(22-4)8-7-9-12(15)23-5/h7-10H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyKHEHDYDAUMCQBM-UHFFFAOYSA-N
XLogP3.37
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
N-[5-(3-ethyloctan-3-yl)-1,2-oxazol-3-yl]-2,6-dimethoxybenzamide
CID 19912004
N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide
CID 13239369
N-[5-(dipropylamino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113030910
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
5-(2-methylbutan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 69116852

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide (CID 13239364) is 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide is CCC(C)(C)c1cc(NC(=O)c2c(OC)cccc2OC)n[nH]1.
What is the InChIKey of 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is KHEHDYDAUMCQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-6-17(2,3)13-10-14(20-19-13)18-16(21)15-11(22-4)8-7-9-12(15)23-5/h7-10H,6H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide?
2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 13239364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).