2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide

C17H15N3O2 — CID 167795680

IUPAC2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(Oc2ccccc2)ccc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C17H15N3O2/c1-12-9-15(22-14-5-3-2-4-6-14)7-8-16(12)17(21)20-13-10-18-19-11-13/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyCVRVKZOFFJPLFM-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.76
Rot. Bonds4

About 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide

2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 167795680) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
PubChem CID167795680
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(Oc2ccccc2)ccc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C17H15N3O2/c1-12-9-15(22-14-5-3-2-4-6-14)7-8-16(12)17(21)20-13-10-18-19-11-13/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyCVRVKZOFFJPLFM-UHFFFAOYSA-N
XLogP3.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
2-oxo-6-phenyl-N-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 60506694
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 80980041
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide
CID 110473881
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62154124
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide (CID 167795680) is 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide is Cc1cc(Oc2ccccc2)ccc1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CVRVKZOFFJPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-9-15(22-14-5-3-2-4-6-14)7-8-16(12)17(21)20-13-10-18-19-11-13/h2-11H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide?
2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 167795680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).