N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide

C14H18FN3O — CID 141184157

IUPACN-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(F)(C3)C2)c1cn[nH]c1
InChIInChI=1S/C14H18FN3O/c15-14-3-8-1-9(4-14)12(10(2-8)5-14)18-13(19)11-6-16-17-7-11/h6-10,12H,1-5H2,(H,16,17)(H,18,19)
InChIKeyVWLWRURESWAOJO-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.06
Rot. Bonds2

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

N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide (PubChem CID 141184157) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide
PubChem CID141184157
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(F)(C3)C2)c1cn[nH]c1
InChIInChI=1S/C14H18FN3O/c15-14-3-8-1-9(4-14)12(10(2-8)5-14)18-13(19)11-6-16-17-7-11/h6-10,12H,1-5H2,(H,16,17)(H,18,19)
InChIKeyVWLWRURESWAOJO-UHFFFAOYSA-N
XLogP2.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-adamantyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 844723
N-(2-adamantyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 141218122
N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
CID 157291845
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 60785978
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 60788329
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 61258478
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 122150161
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
CID 124608848
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
CID 124608849
N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide
CID 126793991
N-(1-adamantyl)-1H-pyrazole-4-carboxamide
CID 43532853

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide (CID 141184157) is N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(F)(C3)C2)c1cn[nH]c1.
What is the InChIKey of N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide?
The InChIKey is VWLWRURESWAOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-14-3-8-1-9(4-14)12(10(2-8)5-14)18-13(19)11-6-16-17-7-11/h6-10,12H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide?
N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 141184157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).