3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide

C20H15N3O — CID 118722844

IUPAC3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H15N3O/c24-20(22-19-10-11-21-23-19)18-7-3-6-16(13-18)17-9-8-14-4-1-2-5-15(14)12-17/h1-13H,(H2,21,22,23,24)
InChIKeyMNKDHMSNLSXTME-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.48
Rot. Bonds3

About 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide

3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 118722844) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide
PubChem CID118722844
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H15N3O/c24-20(22-19-10-11-21-23-19)18-7-3-6-16(13-18)17-9-8-14-4-1-2-5-15(14)12-17/h1-13H,(H2,21,22,23,24)
InChIKeyMNKDHMSNLSXTME-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide (CID 118722844) is 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is MNKDHMSNLSXTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20(22-19-10-11-21-23-19)18-7-3-6-16(13-18)17-9-8-14-4-1-2-5-15(14)12-17/h1-13H,(H2,21,22,23,24).
What are the key properties of 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide?
3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 118722844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).