2-(1H-pyrazol-5-yl)benzamide

C10H9N3O — CID 66771040

IUPAC2-(1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1ccccc1-c1ccn[nH]1
InChIInChI=1S/C10H9N3O/c11-10(14)8-4-2-1-3-7(8)9-5-6-12-13-9/h1-6H,(H2,11,14)(H,12,13)
InChIKeyPLDVDNKJEFXILH-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.18
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)benzamide

2-(1H-pyrazol-5-yl)benzamide (PubChem CID 66771040) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)benzamide
PubChem CID66771040
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-(1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1ccccc1-c1ccn[nH]1
InChIInChI=1S/C10H9N3O/c11-10(14)8-4-2-1-3-7(8)9-5-6-12-13-9/h1-6H,(H2,11,14)(H,12,13)
InChIKeyPLDVDNKJEFXILH-UHFFFAOYSA-N
XLogP1.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-(1H-pyrazol-5-yl)benzamide (CID 66771040) is 2-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-(1H-pyrazol-5-yl)benzamide is NC(=O)c1ccccc1-c1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)benzamide?
The InChIKey is PLDVDNKJEFXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(14)8-4-2-1-3-7(8)9-5-6-12-13-9/h1-6H,(H2,11,14)(H,12,13).
What are the key properties of 2-(1H-pyrazol-5-yl)benzamide?
2-(1H-pyrazol-5-yl)benzamide has a molecular weight of 187.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 66771040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).