3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C19H19N3O2 — CID 134000530

IUPAC3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-24-18-9-5-6-16(12-18)19(23)20-11-10-15-13-21-22(14-15)17-7-3-2-4-8-17/h2-9,12-14H,10-11H2,1H3,(H,20,23)
InChIKeyCJAIJFVJLJIATA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds6

About 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 134000530) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID134000530
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-24-18-9-5-6-16(12-18)19(23)20-11-10-15-13-21-22(14-15)17-7-3-2-4-8-17/h2-9,12-14H,10-11H2,1H3,(H,20,23)
InChIKeyCJAIJFVJLJIATA-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate
CID 55504999
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
methyl 2,4-dimethyl-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 16613722
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 134000530) is 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is COc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is CJAIJFVJLJIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-9-5-6-16(12-18)19(23)20-11-10-15-13-21-22(14-15)17-7-3-2-4-8-17/h2-9,12-14H,10-11H2,1H3,(H,20,23).
What are the key properties of 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 134000530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).