N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide

C16H23N3O — CID 19279634

IUPACN-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1C
InChIInChI=1S/C16H23N3O/c1-9-3-14(18-19(9)2)16(20)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h3,10-13,15H,4-8H2,1-2H3,(H,17,20)
InChIKeyHDVOVBYGDKTSLY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds2

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

N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19279634) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19279634
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1C
InChIInChI=1S/C16H23N3O/c1-9-3-14(18-19(9)2)16(20)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h3,10-13,15H,4-8H2,1-2H3,(H,17,20)
InChIKeyHDVOVBYGDKTSLY-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769522
N-(2-adamantyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884030
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
CID 78150960
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113263276
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
CID 78798957

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide (CID 19279634) is N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1C.
What is the InChIKey of N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HDVOVBYGDKTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-9-3-14(18-19(9)2)16(20)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h3,10-13,15H,4-8H2,1-2H3,(H,17,20).
What are the key properties of N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19279634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).