2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

C17H27N3O — CID 105047254

IUPAC2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N3O/c1-20-16(15(21-2)10-19-20)14(18)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-14H,3-9,18H2,1-2H3
InChIKeyNFILAIFGBNQCSD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds4

About 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (PubChem CID 105047254) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
PubChem CID105047254
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N3O/c1-20-16(15(21-2)10-19-20)14(18)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-14H,3-9,18H2,1-2H3
InChIKeyNFILAIFGBNQCSD-UHFFFAOYSA-N
XLogP3.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycyclobutyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 103559895
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114659615
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
CID 105186271
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105186241
2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114646649
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
(4-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114655202
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (CID 105047254) is 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is COc1cnn(C)c1C(N)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is NFILAIFGBNQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20-16(15(21-2)10-19-20)14(18)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-14H,3-9,18H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105047254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).