2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide

C16H25N7O — CID 46989429

IUPAC2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide
SMILESCC(C)(C)c1nnn(CC(=O)Nc2ccnn2C2CCCCC2)n1
InChIInChI=1S/C16H25N7O/c1-16(2,3)15-19-21-22(20-15)11-14(24)18-13-9-10-17-23(13)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,18,24)
InChIKeyLMMKCKKGPVWXEW-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.31
Rot. Bonds4

About 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide

2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide (PubChem CID 46989429) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide
PubChem CID46989429
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide
SMILESCC(C)(C)c1nnn(CC(=O)Nc2ccnn2C2CCCCC2)n1
InChIInChI=1S/C16H25N7O/c1-16(2,3)15-19-21-22(20-15)11-14(24)18-13-9-10-17-23(13)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,18,24)
InChIKeyLMMKCKKGPVWXEW-UHFFFAOYSA-N
XLogP2.31
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide (CID 46989429) is 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide is CC(C)(C)c1nnn(CC(=O)Nc2ccnn2C2CCCCC2)n1.
What is the InChIKey of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The InChIKey is LMMKCKKGPVWXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-16(2,3)15-19-21-22(20-15)11-14(24)18-13-9-10-17-23(13)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,18,24).
What are the key properties of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46989429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).