N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide

C15H19F2N3O — CID 4768746

IUPACN-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccn(C(F)F)n1
InChIInChI=1S/C15H19F2N3O/c16-14(17)20-2-1-12(19-20)13(21)18-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11,14H,3-8H2,(H,18,21)
InChIKeyVWZNJPQMYZIAGO-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.98
Rot. Bonds3

About N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide

N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 4768746) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID4768746
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccn(C(F)F)n1
InChIInChI=1S/C15H19F2N3O/c16-14(17)20-2-1-12(19-20)13(21)18-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11,14H,3-8H2,(H,18,21)
InChIKeyVWZNJPQMYZIAGO-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide (CID 4768746) is N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccn(C(F)F)n1.
What is the InChIKey of N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is VWZNJPQMYZIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-14(17)20-2-1-12(19-20)13(21)18-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11,14H,3-8H2,(H,18,21).
What are the key properties of N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).