N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine

C12H23N3O — CID 103134564

IUPACN-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccn(C)n1
InChIInChI=1S/C12H23N3O/c1-4-9-16-10-7-11(13-5-2)12-6-8-15(3)14-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyIZZHVIFFIFGSNQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.89
Rot. Bonds8

About N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine

N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine (PubChem CID 103134564) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
PubChem CID103134564
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccn(C)n1
InChIInChI=1S/C12H23N3O/c1-4-9-16-10-7-11(13-5-2)12-6-8-15(3)14-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyIZZHVIFFIFGSNQ-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N',N'-dimethyl-1-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103131264
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-1-(1-ethylimidazol-4-yl)-3-propoxypropan-1-amine
CID 114272942
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130891
N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 65200857
N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine (CID 103134564) is N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine is CCCOCCC(NCC)c1ccn(C)n1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine?
The InChIKey is IZZHVIFFIFGSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-9-16-10-7-11(13-5-2)12-6-8-15(3)14-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine?
N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 103134564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).