3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide

C18H20N6O2 — CID 71702424

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)Nc3n[nH]c(C4CCCO4)n3)c2)n1
InChIInChI=1S/C18H20N6O2/c1-11-9-12(2)24(23-11)14-6-3-5-13(10-14)17(25)20-18-19-16(21-22-18)15-7-4-8-26-15/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H2,19,20,21,22,25)
InChIKeyHQWQPBIZKPDKOS-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.71
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide

3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 71702424) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID71702424
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)Nc3n[nH]c(C4CCCO4)n3)c2)n1
InChIInChI=1S/C18H20N6O2/c1-11-9-12(2)24(23-11)14-6-3-5-13(10-14)17(25)20-18-19-16(21-22-18)15-7-4-8-26-15/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H2,19,20,21,22,25)
InChIKeyHQWQPBIZKPDKOS-UHFFFAOYSA-N
XLogP2.71
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide (CID 71702424) is 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide is Cc1cc(C)n(-c2cccc(C(=O)Nc3n[nH]c(C4CCCO4)n3)c2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is HQWQPBIZKPDKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-9-12(2)24(23-11)14-6-3-5-13(10-14)17(25)20-18-19-16(21-22-18)15-7-4-8-26-15/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H2,19,20,21,22,25).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 352.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 71702424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).