N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide

C15H20FN3O — CID 157291845

IUPACN-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2C3CC4CC2CC(F)(C4)C3)cn1
InChIInChI=1S/C15H20FN3O/c1-19-8-12(7-17-19)14(20)18-13-10-2-9-3-11(13)6-15(16,4-9)5-10/h7-11,13H,2-6H2,1H3,(H,18,20)
InChIKeyBAXATDPHJYCVND-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.07
Rot. Bonds2

About N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide

N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide (PubChem CID 157291845) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
PubChem CID157291845
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2C3CC4CC2CC(F)(C4)C3)cn1
InChIInChI=1S/C15H20FN3O/c1-19-8-12(7-17-19)14(20)18-13-10-2-9-3-11(13)6-15(16,4-9)5-10/h7-11,13H,2-6H2,1H3,(H,18,20)
InChIKeyBAXATDPHJYCVND-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 844723
N-[1-(1-adamantyl)ethyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 3424399
N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide
CID 4048337
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 5111812
1-methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
CID 25013542
1-tert-butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
CID 25013544
1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-bromo-N-(5-fluoro-2-adamantyl)pyrazole-4-carboxamide
CID 59495949
N-(4-cyclohexyl-1,1-difluoro-2-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 69122518
1-butyl-N-(5-fluoro-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 69161005
1-[(E)-3-acetamidobut-1-enyl]-5-bromo-N-(5-fluoro-2-adamantyl)pyrazole-4-carboxamide
CID 70909352
1-(3-acetamido-3-methylbut-1-enyl)-5-bromo-N-(5-fluoro-2-adamantyl)pyrazole-4-carboxamide
CID 72307600
N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide
CID 141184146

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide (CID 157291845) is N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2C3CC4CC2CC(F)(C4)C3)cn1.
What is the InChIKey of N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BAXATDPHJYCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-19-8-12(7-17-19)14(20)18-13-10-2-9-3-11(13)6-15(16,4-9)5-10/h7-11,13H,2-6H2,1H3,(H,18,20).
What are the key properties of N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide?
N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 157291845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).