3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C14H18N4O — CID 63303526

IUPAC3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCNc1ccc(C(=O)NCc2ccnn2C)cc1C
InChIInChI=1S/C14H18N4O/c1-10-8-11(4-5-13(10)15-2)14(19)16-9-12-6-7-17-18(12)3/h4-8,15H,9H2,1-3H3,(H,16,19)
InChIKeyWILRYEASGAUXIH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds4

About 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide

3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 63303526) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID63303526
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCNc1ccc(C(=O)NCc2ccnn2C)cc1C
InChIInChI=1S/C14H18N4O/c1-10-8-11(4-5-13(10)15-2)14(19)16-9-12-6-7-17-18(12)3/h4-8,15H,9H2,1-3H3,(H,16,19)
InChIKeyWILRYEASGAUXIH-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 63303526) is 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide is CNc1ccc(C(=O)NCc2ccnn2C)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is WILRYEASGAUXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-11(4-5-13(10)15-2)14(19)16-9-12-6-7-17-18(12)3/h4-8,15H,9H2,1-3H3,(H,16,19).
What are the key properties of 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 63303526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).