N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide

C8H10N6O — CID 47423483

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2cn[nH]n2)n[nH]1
InChIInChI=1S/C8H10N6O/c1-2-5-3-7(13-11-5)10-8(15)6-4-9-14-12-6/h3-4H,2H2,1H3,(H,9,12,14)(H2,10,11,13,15)
InChIKeyWCSKLAFHMASKOL-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.34
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide (PubChem CID 47423483) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
PubChem CID47423483
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2cn[nH]n2)n[nH]1
InChIInChI=1S/C8H10N6O/c1-2-5-3-7(13-11-5)10-8(15)6-4-9-14-12-6/h3-4H,2H2,1H3,(H,9,12,14)(H2,10,11,13,15)
InChIKeyWCSKLAFHMASKOL-UHFFFAOYSA-N
XLogP0.34
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
CID 103862758
(5-ethyl-1H-pyrazol-3-yl)urea
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N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
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2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
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2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
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N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 48507926
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
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CID 104616057

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide (CID 47423483) is N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide is CCc1cc(NC(=O)c2cn[nH]n2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is WCSKLAFHMASKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-2-5-3-7(13-11-5)10-8(15)6-4-9-14-12-6/h3-4H,2H2,1H3,(H,9,12,14)(H2,10,11,13,15).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 206.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47423483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).