N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide

C17H15N3O2 — CID 7614445

IUPACN-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
SMILESCn1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H15N3O2/c1-20-11-10-16(19-20)18-17(21)13-6-5-9-15(12-13)22-14-7-3-2-4-8-14/h2-12H,1H3,(H,18,19,21)
InChIKeyMHWSJSBVTUXQKO-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.46
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide

N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide (PubChem CID 7614445) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
PubChem CID7614445
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
SMILESCn1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H15N3O2/c1-20-11-10-16(19-20)18-17(21)13-6-5-9-15(12-13)22-14-7-3-2-4-8-14/h2-12H,1H3,(H,18,19,21)
InChIKeyMHWSJSBVTUXQKO-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047
3-[5-(N'-hydroxycarbamimidoyl)pyrazin-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 137172773
N-(1-methylpyrazol-3-yl)-3-(phenylsulfanylamino)benzamide
CID 170977031
5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 166397540
3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
CID 49320232
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
4-[3-(1-methoxypropan-2-yloxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 67489349
4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 58133630
[4-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]phenyl]phosphonic acid
CID 58528963

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide (CID 7614445) is N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide is Cn1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide?
The InChIKey is MHWSJSBVTUXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-11-10-16(19-20)18-17(21)13-6-5-9-15(12-13)22-14-7-3-2-4-8-14/h2-12H,1H3,(H,18,19,21).
What are the key properties of N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide?
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide has a molecular weight of 293.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide is sourced from PubChem (CID 7614445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).