1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol

C14H27N3O — CID 103893989

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCCc1nn(C)cc1CNCC(O)CC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-6-13-11(10-17(5)16-13)8-15-9-12(18)7-14(2,3)4/h10,12,15,18H,6-9H2,1-5H3
InChIKeyJTEZYGPURANQNG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.87
Rot. Bonds6

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol

1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 103893989) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID103893989
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCCc1nn(C)cc1CNCC(O)CC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-6-13-11(10-17(5)16-13)8-15-9-12(18)7-14(2,3)4/h10,12,15,18H,6-9H2,1-5H3
InChIKeyJTEZYGPURANQNG-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989616
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethylpentan-1-amine
CID 114200176
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112670019
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857471
2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 114941443
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112549530
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol (CID 103893989) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol is CCc1nn(C)cc1CNCC(O)CC(C)(C)C.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is JTEZYGPURANQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-13-11(10-17(5)16-13)8-15-9-12(18)7-14(2,3)4/h10,12,15,18H,6-9H2,1-5H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103893989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).