2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide

C14H17N3O3 — CID 35525598

IUPAC2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1cccn1
InChIInChI=1S/C14H17N3O3/c1-19-11-5-3-6-12(20-2)13(11)14(18)15-8-10-17-9-4-7-16-17/h3-7,9H,8,10H2,1-2H3,(H,15,18)
InChIKeyAPVFMXSIIKXJCB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.33
Rot. Bonds6

About 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide

2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 35525598) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID35525598
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1cccn1
InChIInChI=1S/C14H17N3O3/c1-19-11-5-3-6-12(20-2)13(11)14(18)15-8-10-17-9-4-7-16-17/h3-7,9H,8,10H2,1-2H3,(H,15,18)
InChIKeyAPVFMXSIIKXJCB-UHFFFAOYSA-N
XLogP1.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 35525598) is 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide is COc1cccc(OC)c1C(=O)NCCn1cccn1.
What is the InChIKey of 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is APVFMXSIIKXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-11-5-3-6-12(20-2)13(11)14(18)15-8-10-17-9-4-7-16-17/h3-7,9H,8,10H2,1-2H3,(H,15,18).
What are the key properties of 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 35525598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).