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

C13H15N3O — CID 114485945

IUPAC3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
SMILESCc1ccn(Cc2ccc(C(N)=O)cc2C)n1
InChIInChI=1S/C13H15N3O/c1-9-7-11(13(14)17)3-4-12(9)8-16-6-5-10(2)15-16/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyAJEQYZGPVAOHEG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds3

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

3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide (PubChem CID 114485945) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
PubChem CID114485945
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
SMILESCc1ccn(Cc2ccc(C(N)=O)cc2C)n1
InChIInChI=1S/C13H15N3O/c1-9-7-11(13(14)17)3-4-12(9)8-16-6-5-10(2)15-16/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyAJEQYZGPVAOHEG-UHFFFAOYSA-N
XLogP1.65
TPSA60.91 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-3-methylbenzamide
CID 114485142
4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
CID 114561799
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
CID 114485990
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
2-[(4-carbamoyl-2-methylphenyl)methylsulfanyl]acetic acid
CID 114479212
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
CID 114484637
(4-carbamoyl-2-methylphenyl)methanesulfinate
CID 70670718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide (CID 114485945) is 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide is Cc1ccn(Cc2ccc(C(N)=O)cc2C)n1.
What is the InChIKey of 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide?
The InChIKey is AJEQYZGPVAOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-7-11(13(14)17)3-4-12(9)8-16-6-5-10(2)15-16/h3-7H,8H2,1-2H3,(H2,14,17).
What are the key properties of 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide?
3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide has a molecular weight of 229.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 114485945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).