2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane

C19H33N3O — CID 176976548

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
SMILESCC.CC.CC.Cc1ccc(-c2cn(C)nc2C)c(C(N)=O)c1
InChIInChI=1S/C13H15N3O.3C2H6/c1-8-4-5-10(11(6-8)13(14)17)12-7-16(3)15-9(12)2;3*1-2/h4-7H,1-3H3,(H2,14,17);3*1-2H3
InChIKeyWIWPPNICCBCICN-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.88
Rot. Bonds2

About 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane

2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane (PubChem CID 176976548) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
PubChem CID176976548
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
SMILESCC.CC.CC.Cc1ccc(-c2cn(C)nc2C)c(C(N)=O)c1
InChIInChI=1S/C13H15N3O.3C2H6/c1-8-4-5-10(11(6-8)13(14)17)12-7-16(3)15-9(12)2;3*1-2/h4-7H,1-3H3,(H2,14,17);3*1-2H3
InChIKeyWIWPPNICCBCICN-UHFFFAOYSA-N
XLogP4.88
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane (CID 176976548) is 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane is CC.CC.CC.Cc1ccc(-c2cn(C)nc2C)c(C(N)=O)c1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane?
The InChIKey is WIWPPNICCBCICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.3C2H6/c1-8-4-5-10(11(6-8)13(14)17)12-7-16(3)15-9(12)2;3*1-2/h4-7H,1-3H3,(H2,14,17);3*1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane?
2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane has a molecular weight of 319.49 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane is sourced from PubChem (CID 176976548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).