3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide

C17H15N3O2 — CID 31923113

IUPAC3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-22-16-5-2-4-13(12-16)17(21)19-14-6-8-15(9-7-14)20-11-3-10-18-20/h2-12H,1H3,(H,19,21)
InChIKeyNWFKSPBJRWXFBN-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.13
Rot. Bonds4

About 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide

3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide (PubChem CID 31923113) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
PubChem CID31923113
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-22-16-5-2-4-13(12-16)17(21)19-14-6-8-15(9-7-14)20-11-3-10-18-20/h2-12H,1H3,(H,19,21)
InChIKeyNWFKSPBJRWXFBN-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide (CID 31923113) is 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide?
The InChIKey is NWFKSPBJRWXFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-5-2-4-13(12-16)17(21)19-14-6-8-15(9-7-14)20-11-3-10-18-20/h2-12H,1H3,(H,19,21).
What are the key properties of 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide?
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 31923113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).