1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide

C8H10N6O — CID 138027193

IUPAC1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cn[nH]n2)n1
InChIInChI=1S/C8H10N6O/c1-2-14-4-3-6(12-14)8(15)10-7-5-9-13-11-7/h3-5H,2H2,1H3,(H2,9,10,11,13,15)
InChIKeyKQHOGLIYIJFYPX-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.27
Rot. Bonds3

About 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide

1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide (PubChem CID 138027193) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide
PubChem CID138027193
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cn[nH]n2)n1
InChIInChI=1S/C8H10N6O/c1-2-14-4-3-6(12-14)8(15)10-7-5-9-13-11-7/h3-5H,2H2,1H3,(H2,9,10,11,13,15)
InChIKeyKQHOGLIYIJFYPX-UHFFFAOYSA-N
XLogP0.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide (CID 138027193) is 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cn[nH]n2)n1.
What is the InChIKey of 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is KQHOGLIYIJFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-2-14-4-3-6(12-14)8(15)10-7-5-9-13-11-7/h3-5H,2H2,1H3,(H2,9,10,11,13,15).
What are the key properties of 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide?
1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 206.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2H-triazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138027193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).