2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide

C17H27N7O — CID 46999473

IUPAC2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(C(C)(C)C)n2)n(C2CCCCC2)n1
InChIInChI=1S/C17H27N7O/c1-12-10-14(24(20-12)13-8-6-5-7-9-13)18-15(25)11-23-21-16(19-22-23)17(2,3)4/h10,13H,5-9,11H2,1-4H3,(H,18,25)
InChIKeyCVTDKIMAWRRXAW-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.62
Rot. Bonds4

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

2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 46999473) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
PubChem CID46999473
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(C(C)(C)C)n2)n(C2CCCCC2)n1
InChIInChI=1S/C17H27N7O/c1-12-10-14(24(20-12)13-8-6-5-7-9-13)18-15(25)11-23-21-16(19-22-23)17(2,3)4/h10,13H,5-9,11H2,1-4H3,(H,18,25)
InChIKeyCVTDKIMAWRRXAW-UHFFFAOYSA-N
XLogP2.62
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.62
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-cyclohexyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide (CID 46999473) is 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(C(C)(C)C)n2)n(C2CCCCC2)n1.
What is the InChIKey of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is CVTDKIMAWRRXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-12-10-14(24(20-12)13-8-6-5-7-9-13)18-15(25)11-23-21-16(19-22-23)17(2,3)4/h10,13H,5-9,11H2,1-4H3,(H,18,25).
What are the key properties of 2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide?
2-(5-tert-butyltetrazol-2-yl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 2.62, 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-cyclohexyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46999473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).