4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine

C13H25N3O — CID 43749197

IUPAC4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)Cn1cccn1
InChIInChI=1S/C13H25N3O/c1-11(9-13(3,4)17-5)15-12(2)10-16-8-6-7-14-16/h6-8,11-12,15H,9-10H2,1-5H3
InChIKeyKQGPJDZPBIGUCH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.06
Rot. Bonds7

About 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine

4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine (PubChem CID 43749197) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine
PubChem CID43749197
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)Cn1cccn1
InChIInChI=1S/C13H25N3O/c1-11(9-13(3,4)17-5)15-12(2)10-16-8-6-7-14-16/h6-8,11-12,15H,9-10H2,1-5H3
InChIKeyKQGPJDZPBIGUCH-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)-1H-pyrazole
CID 91636373
3,3-Dimethyl-1-(1H-pyrazol-1-yl)butan-2-amine hydrochloride
CID 20850075
N-(1-pyrazol-1-ylpropan-2-yl)heptan-2-amine
CID 43749203
n-Neopentyl-3-(1h-pyrazol-1-yl)butan-2-amine
CID 72139715
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
CID 110209293
(2R,3S)-4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
CID 135133191
1-pyrazol-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54962284
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 114270881
2,2-Difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
3-(4-Pyrazol-1-ylbutan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 132393899
4-Fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-amine
CID 175131875

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine (CID 43749197) is 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine is COC(C)(C)CC(C)NC(C)Cn1cccn1.
What is the InChIKey of 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine?
The InChIKey is KQGPJDZPBIGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(9-13(3,4)17-5)15-12(2)10-16-8-6-7-14-16/h6-8,11-12,15H,9-10H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine?
4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine is sourced from PubChem (CID 43749197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).