2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide

C17H15N3O2 — CID 68761090

IUPAC2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2cn[nH]c2)cc1OCc1ccccc1
InChIInChI=1S/C17H15N3O2/c18-17(21)15-7-6-13(14-9-19-20-10-14)8-16(15)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyYJEDNSSTBYKORO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.75
Rot. Bonds5

About 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide

2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 68761090) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID68761090
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2cn[nH]c2)cc1OCc1ccccc1
InChIInChI=1S/C17H15N3O2/c18-17(21)15-7-6-13(14-9-19-20-10-14)8-16(15)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyYJEDNSSTBYKORO-UHFFFAOYSA-N
XLogP2.75
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 68756527
2-[2-[benzyl(methyl)arsanyl]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 87578661
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
benzyl 2-(1H-pyrazol-4-yloxy)acetate
CID 154815213
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
CID 134387946
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide
CID 167560390
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
methyl 4-(4-ethynylphenyl)-2-phenylmethoxybenzoate
CID 171662673

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide (CID 68761090) is 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide is NC(=O)c1ccc(-c2cn[nH]c2)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is YJEDNSSTBYKORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-17(21)15-7-6-13(14-9-19-20-10-14)8-16(15)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,21)(H,19,20).
What are the key properties of 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide?
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 68761090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).