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

C10H14N6OS — CID 131943513

IUPAC1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCSc2ncn[nH]2)n1
InChIInChI=1S/C10H14N6OS/c1-2-16-5-3-8(15-16)9(17)11-4-6-18-10-12-7-13-14-10/h3,5,7H,2,4,6H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyLBXOCRFIORDIAA-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.54
Rot. Bonds6

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

1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide (PubChem CID 131943513) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide
PubChem CID131943513
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCSc2ncn[nH]2)n1
InChIInChI=1S/C10H14N6OS/c1-2-16-5-3-8(15-16)9(17)11-4-6-18-10-12-7-13-14-10/h3,5,7H,2,4,6H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyLBXOCRFIORDIAA-UHFFFAOYSA-N
XLogP0.54
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049
1-benzyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-4-carboxamide
CID 100775301
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
2-methyl-5-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]furan-3-carboxamide
CID 91788890
5-(4-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]furan-2-carboxamide
CID 131931769
1-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 91917578
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 100796860
2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 72901054
1-[1-(2-methoxyphenyl)ethyl]-1-methyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]urea
CID 121496466
5-thiophen-2-yl-N-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-1,2-oxazole-3-carboxamide
CID 25164516

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide (CID 131943513) is 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NCCSc2ncn[nH]2)n1.
What is the InChIKey of 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is LBXOCRFIORDIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-2-16-5-3-8(15-16)9(17)11-4-6-18-10-12-7-13-14-10/h3,5,7H,2,4,6H2,1H3,(H,11,17)(H,12,13,14).
What are the key properties of 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide?
1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131943513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).