2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine

C14H25N3O2 — CID 65165467

IUPAC2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCC2CCCO2)nc1C
InChIInChI=1S/C14H25N3O2/c1-12-13(10-15-6-9-18-2)11-17(16-12)7-5-14-4-3-8-19-14/h11,14-15H,3-10H2,1-2H3
InChIKeyKLOGEMNADHQQDZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.50
Rot. Bonds8

About 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine

2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 65165467) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID65165467
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCC2CCCO2)nc1C
InChIInChI=1S/C14H25N3O2/c1-12-13(10-15-6-9-18-2)11-17(16-12)7-5-14-4-3-8-19-14/h11,14-15H,3-10H2,1-2H3
InChIKeyKLOGEMNADHQQDZ-UHFFFAOYSA-N
XLogP1.50
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165187
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
2-methoxy-N-[[3-methyl-1-(2-propan-2-ylsulfanylethyl)pyrazol-4-yl]methyl]ethanamine
CID 114268880
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 112668905
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63060974
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060813
N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104811700
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
2-methoxy-N-[[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 66348148
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115885370
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 83160361

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine (CID 65165467) is 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine is COCCNCc1cn(CCC2CCCO2)nc1C.
What is the InChIKey of 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is KLOGEMNADHQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12-13(10-15-6-9-18-2)11-17(16-12)7-5-14-4-3-8-19-14/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65165467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).