N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide

C15H25N3O — CID 115663305

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
SMILESCC(C)c1cc(NC(=O)C2CCCCCCC2)n[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)13-10-14(18-17-13)16-15(19)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyGUZBMZKRHAQAJW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.83
Rot. Bonds3

About N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide

N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide (PubChem CID 115663305) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
PubChem CID115663305
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
SMILESCC(C)c1cc(NC(=O)C2CCCCCCC2)n[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)13-10-14(18-17-13)16-15(19)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyGUZBMZKRHAQAJW-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
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3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide (CID 115663305) is N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide is CC(C)c1cc(NC(=O)C2CCCCCCC2)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
The InChIKey is GUZBMZKRHAQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)13-10-14(18-17-13)16-15(19)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide is sourced from PubChem (CID 115663305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).