N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide

C13H21N3O — CID 65022914

IUPACN-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCCCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-10-9-12(16-15-10)14-13(17)11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyAHRCARRSVZNZOS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.02
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide

N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide (PubChem CID 65022914) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
PubChem CID65022914
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCCCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-10-9-12(16-15-10)14-13(17)11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyAHRCARRSVZNZOS-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide (CID 65022914) is N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide is Cc1cc(NC(=O)C2CCCCCCC2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
The InChIKey is AHRCARRSVZNZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-12(16-15-10)14-13(17)11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide is sourced from PubChem (CID 65022914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).