3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H15N3O — CID 5140199

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C13H15N3O/c1-10-4-3-5-12(6-10)13(17)14-7-11-8-15-16(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,14,17)
InChIKeyKNSXPZPFKYURKG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds3

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 5140199) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID5140199
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C13H15N3O/c1-10-4-3-5-12(6-10)13(17)14-7-11-8-15-16(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,14,17)
InChIKeyKNSXPZPFKYURKG-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
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-4-yl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 5140199) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2cnn(C)c2)c1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is KNSXPZPFKYURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-4-3-5-12(6-10)13(17)14-7-11-8-15-16(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 229.28 g/mol, XLogP of 1.66, 3 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-4-yl)methyl]benzamide is sourced from PubChem (CID 5140199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).