N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide

C17H15N3O2 — CID 110698188

IUPACN-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
SMILESCOc1cccc(NC(=O)c2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C17H15N3O2/c1-22-16-8-3-6-14(12-16)19-17(21)13-5-2-7-15(11-13)20-10-4-9-18-20/h2-12H,1H3,(H,19,21)
InChIKeyIABBPTRNHNKUKC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.13
Rot. Bonds4

About N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide

N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide (PubChem CID 110698188) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
PubChem CID110698188
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
SMILESCOc1cccc(NC(=O)c2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C17H15N3O2/c1-22-16-8-3-6-14(12-16)19-17(21)13-5-2-7-15(11-13)20-10-4-9-18-20/h2-12H,1H3,(H,19,21)
InChIKeyIABBPTRNHNKUKC-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
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide (CID 110698188) is N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide is COc1cccc(NC(=O)c2cccc(-n3cccn3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide?
The InChIKey is IABBPTRNHNKUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-8-3-6-14(12-16)19-17(21)13-5-2-7-15(11-13)20-10-4-9-18-20/h2-12H,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide?
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide 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 N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 110698188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).