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

C19H19N3O2 — CID 119102928

IUPAC2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C19H19N3O2/c1-24-18-10-6-5-9-17(18)19(23)20-11-12-22-14-16(13-21-22)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,23)
InChIKeyBKKPSVFOCWJDMB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds6

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

2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide (PubChem CID 119102928) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
PubChem CID119102928
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C19H19N3O2/c1-24-18-10-6-5-9-17(18)19(23)20-11-12-22-14-16(13-21-22)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,23)
InChIKeyBKKPSVFOCWJDMB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102927
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
CID 121020141
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
2-fluoro-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]benzamide
CID 122244751
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide (CID 119102928) is 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is BKKPSVFOCWJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-10-6-5-9-17(18)19(23)20-11-12-22-14-16(13-21-22)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,23).
What are the key properties of 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 119102928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).