3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide

C13H15N3O3 — CID 4776984

IUPAC3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O3/c1-16-5-4-12(15-16)14-13(17)9-6-10(18-2)8-11(7-9)19-3/h4-8H,1-3H3,(H,14,15,17)
InChIKeyFSLNZRINRJCKKA-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.69
Rot. Bonds4

About 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide

3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 4776984) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID4776984
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O3/c1-16-5-4-12(15-16)14-13(17)9-6-10(18-2)8-11(7-9)19-3/h4-8H,1-3H3,(H,14,15,17)
InChIKeyFSLNZRINRJCKKA-UHFFFAOYSA-N
XLogP1.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide (CID 4776984) is 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is FSLNZRINRJCKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-5-4-12(15-16)14-13(17)9-6-10(18-2)8-11(7-9)19-3/h4-8H,1-3H3,(H,14,15,17).
What are the key properties of 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide?
3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 4776984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).