2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H21N7O — CID 71879344

IUPAC2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1nnnc1C1CCCC1
InChIInChI=1S/C14H21N7O/c1-9-13(10(2)20(3)17-9)15-12(22)8-21-14(16-18-19-21)11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,15,22)
InChIKeyZMHHLCUAZNEAFL-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.32
Rot. Bonds4

About 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 71879344) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID71879344
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1nnnc1C1CCCC1
InChIInChI=1S/C14H21N7O/c1-9-13(10(2)20(3)17-9)15-12(22)8-21-14(16-18-19-21)11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,15,22)
InChIKeyZMHHLCUAZNEAFL-UHFFFAOYSA-N
XLogP1.32
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 71879344) is 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)Cn1nnnc1C1CCCC1.
What is the InChIKey of 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZMHHLCUAZNEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-9-13(10(2)20(3)17-9)15-12(22)8-21-14(16-18-19-21)11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,15,22).
What are the key properties of 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71879344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).