1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide

C18H22N6O — CID 16676104

IUPAC1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCCc2nc(-c3ccc(C)cc3)n[nH]2)c1C
InChIInChI=1S/C18H22N6O/c1-4-24-13(3)15(11-20-24)18(25)19-10-9-16-21-17(23-22-16)14-7-5-12(2)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,25)(H,21,22,23)
InChIKeyUHGKZUDGOQEOON-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.28
Rot. Bonds6

About 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide

1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 16676104) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
PubChem CID16676104
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCCc2nc(-c3ccc(C)cc3)n[nH]2)c1C
InChIInChI=1S/C18H22N6O/c1-4-24-13(3)15(11-20-24)18(25)19-10-9-16-21-17(23-22-16)14-7-5-12(2)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,25)(H,21,22,23)
InChIKeyUHGKZUDGOQEOON-UHFFFAOYSA-N
XLogP2.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide (CID 16676104) is 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide is CCn1ncc(C(=O)NCCc2nc(-c3ccc(C)cc3)n[nH]2)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is UHGKZUDGOQEOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-24-13(3)15(11-20-24)18(25)19-10-9-16-21-17(23-22-16)14-7-5-12(2)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,25)(H,21,22,23).
What are the key properties of 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16676104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).