N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide

C16H23N3O — CID 4048337

IUPACN-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3O/c1-18-10-14(9-17-18)15(20)19(2)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,3-8H2,1-2H3
InChIKeyLCIHGDPFOAYEKD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds2

About N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide

N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 4048337) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID4048337
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3O/c1-18-10-14(9-17-18)15(20)19(2)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,3-8H2,1-2H3
InChIKeyLCIHGDPFOAYEKD-UHFFFAOYSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
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,1,3-trimethyl-1H-pyrazole-4-carboxamide
CID 4124487
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 129490806
N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
CID 157291845
N-(1-Adamantylmethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 4769216
1-methyl-N-[3-(trifluoromethyl)-1-adamantyl]pyrazole-4-carboxamide
CID 84600464
1-methyl-N-[(5S,7R)-3-(trifluoromethyl)-1-adamantyl]pyrazole-4-carboxamide
CID 97614165
2-(1-adamantyl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 5197739
N-[2-(1-adamantyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 29216830
(E)-N-(1-adamantyl)-N-ethyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 30961744
N-(1-adamantyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 57765842

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide (CID 4048337) is N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is LCIHGDPFOAYEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-10-14(9-17-18)15(20)19(2)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide?
N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4048337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).