N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide

C16H23N3O — CID 3556765

IUPACN-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide
SMILESCn1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H23N3O/c1-19-10-14(9-18-19)8-17-15(20)16-5-11-2-12(6-16)4-13(3-11)7-16/h9-13H,2-8H2,1H3,(H,17,20)
InChIKeyAKSXPYNGNDJDOE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.25
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide (PubChem CID 3556765) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide
PubChem CID3556765
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide
SMILESCn1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H23N3O/c1-19-10-14(9-18-19)8-17-15(20)16-5-11-2-12(6-16)4-13(3-11)7-16/h9-13H,2-8H2,1H3,(H,17,20)
InChIKeyAKSXPYNGNDJDOE-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.25
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-methyl-1H-pyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 1246452
2-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4335808
1-(1-adamantylacetyl)-1H-pyrazole
CID 2970441
2-(1-methylcyclohexyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241001
N-(2-adamantanylethyl)-2-(4-iodopyrazolyl)acetamide
CID 5306183
N-(1-Adamantylmethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 4769216
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 45804609
N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47369495
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]adamantane-1-carboxamide
CID 60322665
2-(1-Adamantyl)-N'~1~-[(1-ethyl-5-fluoro-1H-pyrazol-4-YL)methylene]acetohydrazide
CID 119056000

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide (CID 3556765) is N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide is Cn1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
The InChIKey is AKSXPYNGNDJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-10-14(9-18-19)8-17-15(20)16-5-11-2-12(6-16)4-13(3-11)7-16/h9-13H,2-8H2,1H3,(H,17,20).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 3556765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).