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

C14H17N3O — CID 19330914

IUPAC3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccn(C)n2)cc1C
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)14(18)15-9-13-6-7-17(3)16-13/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyVLLKAAMGHIGHAL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds3

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

3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19330914) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19330914
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccn(C)n2)cc1C
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)14(18)15-9-13-6-7-17(3)16-13/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyVLLKAAMGHIGHAL-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329175
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329216
4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide
CID 146124161
4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19330914) is 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccn(C)n2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is VLLKAAMGHIGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)14(18)15-9-13-6-7-17(3)16-13/h4-8H,9H2,1-3H3,(H,15,18).
What are the key properties of 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19330914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).