N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide

C17H25N3O — CID 19575386

IUPACN-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25N3O/c1-9-15(10(2)20(3)19-9)17(21)18-16-13-5-11-4-12(7-13)8-14(16)6-11/h11-14,16H,4-8H2,1-3H3,(H,18,21)
InChIKeyVVUIPEVIJQIIQE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.59
Rot. Bonds2

About N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19575386) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19575386
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25N3O/c1-9-15(10(2)20(3)19-9)17(21)18-16-13-5-11-4-12(7-13)8-14(16)6-11/h11-14,16H,4-8H2,1-3H3,(H,18,21)
InChIKeyVVUIPEVIJQIIQE-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 98288782
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634
1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
CID 4866509
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119458545
N-(2-adamantyl)-5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 25013546
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575849
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22204440
N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 40726754
N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769522

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 19575386) is N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is VVUIPEVIJQIIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-9-15(10(2)20(3)19-9)17(21)18-16-13-5-11-4-12(7-13)8-14(16)6-11/h11-14,16H,4-8H2,1-3H3,(H,18,21).
What are the key properties of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19575386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).