3-methyl-N-(1-methylpyrazol-3-yl)benzamide

C12H13N3O — CID 4776640

IUPAC3-methyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C12H13N3O/c1-9-4-3-5-10(8-9)12(16)13-11-6-7-15(2)14-11/h3-8H,1-2H3,(H,13,14,16)
InChIKeyGVYCQFCFBMUKRQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds2

About 3-methyl-N-(1-methylpyrazol-3-yl)benzamide

3-methyl-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 4776640) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID4776640
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C12H13N3O/c1-9-4-3-5-10(8-9)12(16)13-11-6-7-15(2)14-11/h3-8H,1-2H3,(H,13,14,16)
InChIKeyGVYCQFCFBMUKRQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-methyl-N-(1-methylpyrazol-3-yl)benzamide (CID 4776640) is 3-methyl-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-(1-methylpyrazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3-methyl-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is GVYCQFCFBMUKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-4-3-5-10(8-9)12(16)13-11-6-7-15(2)14-11/h3-8H,1-2H3,(H,13,14,16).
What are the key properties of 3-methyl-N-(1-methylpyrazol-3-yl)benzamide?
3-methyl-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 4776640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).