4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide

C14H17N3O2 — CID 56786140

IUPAC4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCn2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-16(10-11-17-9-3-8-15-17)14(18)12-4-6-13(19-2)7-5-12/h3-9H,10-11H2,1-2H3
InChIKeyNVNJHFQMTSTZRI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.66
Rot. Bonds5

About 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide

4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 56786140) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID56786140
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCn2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-16(10-11-17-9-3-8-15-17)14(18)12-4-6-13(19-2)7-5-12/h3-9H,10-11H2,1-2H3
InChIKeyNVNJHFQMTSTZRI-UHFFFAOYSA-N
XLogP1.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide (CID 56786140) is 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide is COc1ccc(C(=O)N(C)CCn2cccn2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is NVNJHFQMTSTZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16(10-11-17-9-3-8-15-17)14(18)12-4-6-13(19-2)7-5-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 56786140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).