N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide

C18H22N8O — CID 155531002

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3cccnc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C18H22N8O/c1-13-10-16(26(22-13)15-7-3-2-4-8-15)20-17(27)12-25-23-18(21-24-25)14-6-5-9-19-11-14/h5-6,9-11,15H,2-4,7-8,12H2,1H3,(H,20,27)
InChIKeyHORUTYLJBUHTPR-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.38
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide (PubChem CID 155531002) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
PubChem CID155531002
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3cccnc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C18H22N8O/c1-13-10-16(26(22-13)15-7-3-2-4-8-15)20-17(27)12-25-23-18(21-24-25)14-6-5-9-19-11-14/h5-6,9-11,15H,2-4,7-8,12H2,1H3,(H,20,27)
InChIKeyHORUTYLJBUHTPR-UHFFFAOYSA-N
XLogP2.38
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide (CID 155531002) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3cccnc3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
The InChIKey is HORUTYLJBUHTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-13-10-16(26(22-13)15-7-3-2-4-8-15)20-17(27)12-25-23-18(21-24-25)14-6-5-9-19-11-14/h5-6,9-11,15H,2-4,7-8,12H2,1H3,(H,20,27).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 155531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).