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

C11H11N7OS — CID 104620163

IUPACN-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C11H11N7OS/c1-7-5-12-14-10(7)13-9(19)6-18-16-11(15-17-18)8-3-2-4-20-8/h2-5H,6H2,1H3,(H2,12,13,14,19)
InChIKeyIQWIRXYDRNJRCN-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.07
Rot. Bonds4

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

N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 104620163) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID104620163
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C11H11N7OS/c1-7-5-12-14-10(7)13-9(19)6-18-16-11(15-17-18)8-3-2-4-20-8/h2-5H,6H2,1H3,(H2,12,13,14,19)
InChIKeyIQWIRXYDRNJRCN-UHFFFAOYSA-N
XLogP1.07
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 104620163) is N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is Cc1cn[nH]c1NC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is IQWIRXYDRNJRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS/c1-7-5-12-14-10(7)13-9(19)6-18-16-11(15-17-18)8-3-2-4-20-8/h2-5H,6H2,1H3,(H2,12,13,14,19).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 104620163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).