N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide

C20H31N3O — CID 5253549

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
SMILESCCn1nccc1CN(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C20H31N3O/c1-5-23-16(6-7-21-23)11-22(4)17(24)20-10-15-8-18(2,13-20)12-19(3,9-15)14-20/h6-7,15H,5,8-14H2,1-4H3
InChIKeyXVGYWQPMAMATLE-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.86
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide (PubChem CID 5253549) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
PubChem CID5253549
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
SMILESCCn1nccc1CN(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C20H31N3O/c1-5-23-16(6-7-21-23)11-22(4)17(24)20-10-15-8-18(2,13-20)12-19(3,9-15)14-20/h6-7,15H,5,8-14H2,1-4H3
InChIKeyXVGYWQPMAMATLE-UHFFFAOYSA-N
XLogP3.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4335808
2-(1-adamantyl)-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4671711
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
CID 71458596
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 42892076
4-(1-Adamantyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one
CID 159718838
N-[(1S)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8363233
N-[(1R)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8363234
N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530828
N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530878

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide (CID 5253549) is N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide is CCn1nccc1CN(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
The InChIKey is XVGYWQPMAMATLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-5-23-16(6-7-21-23)11-22(4)17(24)20-10-15-8-18(2,13-20)12-19(3,9-15)14-20/h6-7,15H,5,8-14H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 5253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).