N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

C16H18N6O — CID 166250317

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nc(C)n(-c3ccccc3)n2)c1C
InChIInChI=1S/C16H18N6O/c1-4-21-11(2)14(10-17-21)19-16(23)15-18-12(3)22(20-15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,19,23)
InChIKeyUULTWNCXWSRMFM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.35
Rot. Bonds4

About N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 166250317) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID166250317
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nc(C)n(-c3ccccc3)n2)c1C
InChIInChI=1S/C16H18N6O/c1-4-21-11(2)14(10-17-21)19-16(23)15-18-12(3)22(20-15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,19,23)
InChIKeyUULTWNCXWSRMFM-UHFFFAOYSA-N
XLogP2.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 166250317) is N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is CCn1ncc(NC(=O)c2nc(C)n(-c3ccccc3)n2)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is UULTWNCXWSRMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-4-21-11(2)14(10-17-21)19-16(23)15-18-12(3)22(20-15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,19,23).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166250317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).