N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C12H13N7OS — CID 104620259

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCCc1cn[nH]c1NC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C12H13N7OS/c1-2-8-6-13-15-11(8)14-10(20)7-19-17-12(16-18-19)9-4-3-5-21-9/h3-6H,2,7H2,1H3,(H2,13,14,15,20)
InChIKeyCJWDXVWAIQZLFC-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.33
Rot. Bonds5

About N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 104620259) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID104620259
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCCc1cn[nH]c1NC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C12H13N7OS/c1-2-8-6-13-15-11(8)14-10(20)7-19-17-12(16-18-19)9-4-3-5-21-9/h3-6H,2,7H2,1H3,(H2,13,14,15,20)
InChIKeyCJWDXVWAIQZLFC-UHFFFAOYSA-N
XLogP1.33
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 104620259) is N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is CCc1cn[nH]c1NC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is CJWDXVWAIQZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-2-8-6-13-15-11(8)14-10(20)7-19-17-12(16-18-19)9-4-3-5-21-9/h3-6H,2,7H2,1H3,(H2,13,14,15,20).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 303.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 104620259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).