1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine

C14H27N3O — CID 65178268

IUPAC1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
SMILESCCOCCCn1nc(C)c(CC(N)CC)c1C
InChIInChI=1S/C14H27N3O/c1-5-13(15)10-14-11(3)16-17(12(14)4)8-7-9-18-6-2/h13H,5-10,15H2,1-4H3
InChIKeyGEAYTMLNMZICHH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.21
Rot. Bonds8

About 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine

1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine (PubChem CID 65178268) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
PubChem CID65178268
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
SMILESCCOCCCn1nc(C)c(CC(N)CC)c1C
InChIInChI=1S/C14H27N3O/c1-5-13(15)10-14-11(3)16-17(12(14)4)8-7-9-18-6-2/h13H,5-10,15H2,1-4H3
InChIKeyGEAYTMLNMZICHH-UHFFFAOYSA-N
XLogP2.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-dimethyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]butan-2-amine
CID 113474357
2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65178167
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720925
1-[3,5-dimethyl-1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720927
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butan-2-amine
CID 62730420
1-(3-ethoxypropyl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 65180938
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731853
1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine
CID 62730951
N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62564933

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine (CID 65178268) is 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine is CCOCCCn1nc(C)c(CC(N)CC)c1C.
What is the InChIKey of 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
The InChIKey is GEAYTMLNMZICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-13(15)10-14-11(3)16-17(12(14)4)8-7-9-18-6-2/h13H,5-10,15H2,1-4H3.
What are the key properties of 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 65178268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).