N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C11H11N7O2S — CID 18131426

IUPACN-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCn1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)n1
InChIInChI=1S/C11H11N7O2S/c1-16-5-4-8(13-16)12-9(19)7-17-11(20)18(15-14-17)10-3-2-6-21-10/h2-6H,7H2,1H3,(H,12,13,19)
InChIKeyKLFDHLCVAYQBDT-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.14
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 18131426) has the molecular formula C11H11N7O2S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID18131426
Molecular FormulaC11H11N7O2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC NameN-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCn1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)n1
InChIInChI=1S/C11H11N7O2S/c1-16-5-4-8(13-16)12-9(19)7-17-11(20)18(15-14-17)10-3-2-6-21-10/h2-6H,7H2,1H3,(H,12,13,19)
InChIKeyKLFDHLCVAYQBDT-UHFFFAOYSA-N
XLogP-0.14
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581212
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17454179
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 18131241
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18289502
N-(2-bromo-4,6-difluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 39019473
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 33081996
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 16580683

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 18131426) is N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cn1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is KLFDHLCVAYQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2S/c1-16-5-4-8(13-16)12-9(19)7-17-11(20)18(15-14-17)10-3-2-6-21-10/h2-6H,7H2,1H3,(H,12,13,19).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 305.32 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 18131426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).