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

C20H31N3O — CID 17021574

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
SMILESCCn1ccc(CN(C)C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)n1
InChIInChI=1S/C20H31N3O/c1-5-23-7-6-16(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
InChIKeyUEJUVHZJFZFYMZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.86
Rot. Bonds4

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

N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide (PubChem CID 17021574) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
PubChem CID17021574
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
SMILESCCn1ccc(CN(C)C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)n1
InChIInChI=1S/C20H31N3O/c1-5-23-7-6-16(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
InChIKeyUEJUVHZJFZFYMZ-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide (CID 17021574) is N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide is CCn1ccc(CN(C)C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
The InChIKey is UEJUVHZJFZFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-5-23-7-6-16(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-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide?
N-[(1-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-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 17021574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).