3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide

C13H15N3O — CID 16626174

IUPAC3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O/c1-9-6-10(2)8-11(7-9)13(17)14-12-4-5-16(3)15-12/h4-8H,1-3H3,(H,14,15,17)
InChIKeyAHTXDFRWAVGSCJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds2

About 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide

3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 16626174) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID16626174
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O/c1-9-6-10(2)8-11(7-9)13(17)14-12-4-5-16(3)15-12/h4-8H,1-3H3,(H,14,15,17)
InChIKeyAHTXDFRWAVGSCJ-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2814962
CID 2814962
CID 1510958
CID 1510958
CID 2320453
CID 2320453
CID 4865106
CID 4865106
CID 4865337
CID 4865337
CID 16619202
CID 16619202
CID 999008
CID 999008
CID 46945384
CID 46945384
CID 110472142
CID 110472142
CID 118560322
CID 118560322
CID 118560592
CID 118560592
CID 134589079
CID 134589079

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide (CID 16626174) is 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is AHTXDFRWAVGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-6-10(2)8-11(7-9)13(17)14-12-4-5-16(3)15-12/h4-8H,1-3H3,(H,14,15,17).
What are the key properties of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide?
3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 229.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 16626174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).