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

C11H11N3O — CID 20784853

IUPAC4-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C11H11N3O/c1-8-2-4-9(5-3-8)11(15)14-10-6-12-13-7-10/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyMJNIPQDHXXVOTJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.97
Rot. Bonds2

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

4-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 20784853) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID20784853
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C11H11N3O/c1-8-2-4-9(5-3-8)11(15)14-10-6-12-13-7-10/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyMJNIPQDHXXVOTJ-UHFFFAOYSA-N
XLogP1.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 20784853) is 4-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-4-yl)benzamide is Cc1ccc(C(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is MJNIPQDHXXVOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-2-4-9(5-3-8)11(15)14-10-6-12-13-7-10/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-N-(1H-pyrazol-4-yl)benzamide?
4-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 201.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 20784853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).