N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C15H27N3O2 — CID 105047272

IUPACN-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C)C1C(C)OC(C)C1C
InChIInChI=1S/C15H27N3O2/c1-7-16-14(13-9(2)10(3)20-11(13)4)15-12(19-6)8-17-18(15)5/h8-11,13-14,16H,7H2,1-6H3
InChIKeyLAYSDYZRLQBRKW-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.14
Rot. Bonds5

About N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 105047272) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID105047272
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C)C1C(C)OC(C)C1C
InChIInChI=1S/C15H27N3O2/c1-7-16-14(13-9(2)10(3)20-11(13)4)15-12(19-6)8-17-18(15)5/h8-11,13-14,16H,7H2,1-6H3
InChIKeyLAYSDYZRLQBRKW-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105054339
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085
N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
N-ethyl-2-(2-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155592
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654144
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156773
2-butan-2-ylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654035

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 105047272) is N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(c1c(OC)cnn1C)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is LAYSDYZRLQBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-16-14(13-9(2)10(3)20-11(13)4)15-12(19-6)8-17-18(15)5/h8-11,13-14,16H,7H2,1-6H3.
What are the key properties of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105047272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).