1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine

C15H29N3O — CID 103027316

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCCC(C)n1ccc(CC(CC(C)(C)OC)NC)n1
InChIInChI=1S/C15H29N3O/c1-7-12(2)18-9-8-13(17-18)10-14(16-5)11-15(3,4)19-6/h8-9,12,14,16H,7,10-11H2,1-6H3
InChIKeyQWJAHAXMSCBXGI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.80
Rot. Bonds8

About 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 103027316) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine
PubChem CID103027316
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCCC(C)n1ccc(CC(CC(C)(C)OC)NC)n1
InChIInChI=1S/C15H29N3O/c1-7-12(2)18-9-8-13(17-18)10-14(16-5)11-15(3,4)19-6/h8-9,12,14,16H,7,10-11H2,1-6H3
InChIKeyQWJAHAXMSCBXGI-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
[4-Methoxy-4-methyl-1-(2-methylpyrazol-3-yl)pentan-3-yl]hydrazine
CID 103026078
[5-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-yl]hydrazine
CID 103026128

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine (CID 103027316) is 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine is CCC(C)n1ccc(CC(CC(C)(C)OC)NC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is QWJAHAXMSCBXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-12(2)18-9-8-13(17-18)10-14(16-5)11-15(3,4)19-6/h8-9,12,14,16H,7,10-11H2,1-6H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.80, 8 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-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 103027316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).