1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine

C14H27N3O — CID 103027317

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCCC(C)n1ccc(CC(N)CC(C)(C)OC)n1
InChIInChI=1S/C14H27N3O/c1-6-11(2)17-8-7-13(16-17)9-12(15)10-14(3,4)18-5/h7-8,11-12H,6,9-10,15H2,1-5H3
InChIKeyCFGWLLTYNNYYIM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.54
Rot. Bonds7

About 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103027317) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103027317
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCCC(C)n1ccc(CC(N)CC(C)(C)OC)n1
InChIInChI=1S/C14H27N3O/c1-6-11(2)17-8-7-13(16-17)9-12(15)10-14(3,4)18-5/h7-8,11-12H,6,9-10,15H2,1-5H3
InChIKeyCFGWLLTYNNYYIM-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-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

[3-Methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 103025317
[1-(2-Ethylpyrazol-3-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025318
[3-Methoxy-3-methyl-1-(2-methylpyrazol-3-yl)butyl]hydrazine
CID 103025319
[1-(1-Cyclohexylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025341
[1-(2,5-Dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025366
[1-(3-Ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025374
[4-Methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 103025446
[1-Methoxy-5-(2-methylpyrazol-3-yl)pentan-3-yl]hydrazine
CID 103026034
[1-(2-Methylpyrazol-3-yl)-5-propoxypentan-3-yl]hydrazine
CID 103026039
[1-(2-Methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026043
[6-Methoxy-1-(2-methylpyrazol-3-yl)hexan-3-yl]hydrazine
CID 103026068
[4-(2-Methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-yl]hydrazine
CID 103026075

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine (CID 103027317) is 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine is CCC(C)n1ccc(CC(N)CC(C)(C)OC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is CFGWLLTYNNYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-11(2)17-8-7-13(16-17)9-12(15)10-14(3,4)18-5/h7-8,11-12H,6,9-10,15H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103027317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).