2-[2-(1H-pyrazol-5-yl)phenyl]benzamide

C16H13N3O — CID 69317504

IUPAC2-[2-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccccc1-c1ccn[nH]1
InChIInChI=1S/C16H13N3O/c17-16(20)14-8-4-2-6-12(14)11-5-1-3-7-13(11)15-9-10-18-19-15/h1-10H,(H2,17,20)(H,18,19)
InChIKeyCBRNFBPPACULSP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.84
Rot. Bonds3

About 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide

2-[2-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 69317504) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID69317504
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[2-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccccc1-c1ccn[nH]1
InChIInChI=1S/C16H13N3O/c17-16(20)14-8-4-2-6-12(14)11-5-1-3-7-13(11)15-9-10-18-19-15/h1-10H,(H2,17,20)(H,18,19)
InChIKeyCBRNFBPPACULSP-UHFFFAOYSA-N
XLogP2.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide (CID 69317504) is 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide is NC(=O)c1ccccc1-c1ccccc1-c1ccn[nH]1.
What is the InChIKey of 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is CBRNFBPPACULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(20)14-8-4-2-6-12(14)11-5-1-3-7-13(11)15-9-10-18-19-15/h1-10H,(H2,17,20)(H,18,19).
What are the key properties of 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide?
2-[2-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 263.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 69317504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).