3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol

C14H27N3O — CID 115722851

IUPAC3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol
SMILESCCn1nc(C)c(C(C)NC(C)C(C)CO)c1C
InChIInChI=1S/C14H27N3O/c1-7-17-13(6)14(12(5)16-17)11(4)15-10(3)9(2)8-18/h9-11,15,18H,7-8H2,1-6H3
InChIKeyWFXIJDGFPWBMPJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.19
Rot. Bonds6

About 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol

3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol (PubChem CID 115722851) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol
PubChem CID115722851
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol
SMILESCCn1nc(C)c(C(C)NC(C)C(C)CO)c1C
InChIInChI=1S/C14H27N3O/c1-7-17-13(6)14(12(5)16-17)11(4)15-10(3)9(2)8-18/h9-11,15,18H,7-8H2,1-6H3
InChIKeyWFXIJDGFPWBMPJ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
CID 103107285
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 130641286
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009
3-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781997
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353172
1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
CID 65123003
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]hex-5-yn-1-amine
CID 103903590

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol (CID 115722851) is 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol is CCn1nc(C)c(C(C)NC(C)C(C)CO)c1C.
What is the InChIKey of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol?
The InChIKey is WFXIJDGFPWBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-17-13(6)14(12(5)16-17)11(4)15-10(3)9(2)8-18/h9-11,15,18H,7-8H2,1-6H3.
What are the key properties of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol?
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 115722851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).