N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide

C16H18N6O2 — CID 782575

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nn2c(C)nnc2-n2nc(C)cc2C)c1
InChIInChI=1S/C16H18N6O2/c1-10-8-11(2)21(19-10)16-18-17-12(3)22(16)20-15(23)13-6-5-7-14(9-13)24-4/h5-9H,1-4H3,(H,20,23)
InChIKeyNFIDRPBJPNQEGY-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.78
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide

N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide (PubChem CID 782575) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide
PubChem CID782575
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nn2c(C)nnc2-n2nc(C)cc2C)c1
InChIInChI=1S/C16H18N6O2/c1-10-8-11(2)21(19-10)16-18-17-12(3)22(16)20-15(23)13-6-5-7-14(9-13)24-4/h5-9H,1-4H3,(H,20,23)
InChIKeyNFIDRPBJPNQEGY-UHFFFAOYSA-N
XLogP1.78
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide (CID 782575) is N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nn2c(C)nnc2-n2nc(C)cc2C)c1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide?
The InChIKey is NFIDRPBJPNQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-8-11(2)21(19-10)16-18-17-12(3)22(16)20-15(23)13-6-5-7-14(9-13)24-4/h5-9H,1-4H3,(H,20,23).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide has a molecular weight of 326.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 782575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).