1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

C14H27N3O2 — CID 103183818

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(CCOCCCOC)c1C
InChIInChI=1S/C14H27N3O2/c1-11(15-4)14-12(2)16-17(13(14)3)7-10-19-9-6-8-18-5/h11,15H,6-10H2,1-5H3
InChIKeyFSONEDNFEXQSCC-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.83
Rot. Bonds9

About 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 103183818) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID103183818
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(CCOCCCOC)c1C
InChIInChI=1S/C14H27N3O2/c1-11(15-4)14-12(2)16-17(13(14)3)7-10-19-9-6-8-18-5/h11,15H,6-10H2,1-5H3
InChIKeyFSONEDNFEXQSCC-UHFFFAOYSA-N
XLogP1.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.83
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

1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 103183821
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731733
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62730461
4-(1-chloroethyl)-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 62731648
4-(1-chloropropyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104567000
1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 103181656
1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62731910
4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole
CID 62730924
4-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104568877
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 103183818) is 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNC(C)c1c(C)nn(CCOCCCOC)c1C.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is FSONEDNFEXQSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(15-4)14-12(2)16-17(13(14)3)7-10-19-9-6-8-18-5/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 269.39 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 103183818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).