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

C14H27N3O — CID 110010526

IUPAC1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cnn(C)c1C
InChIInChI=1S/C14H27N3O/c1-6-12(7-2)14(18)9-15-10(3)13-8-16-17(5)11(13)4/h8,10,12,14-15,18H,6-7,9H2,1-5H3
InChIKeyBTWTYQUPDMJFCI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.18
Rot. Bonds7

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

1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 110010526) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
PubChem CID110010526
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cnn(C)c1C
InChIInChI=1S/C14H27N3O/c1-6-12(7-2)14(18)9-15-10(3)13-8-16-17(5)11(13)4/h8,10,12,14-15,18H,6-7,9H2,1-5H3
InChIKeyBTWTYQUPDMJFCI-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 115970779
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
CID 115971884
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 110011190
1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 110010378
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine
CID 105168496
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
CID 115970239
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol (CID 110010526) is 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1cnn(C)c1C.
What is the InChIKey of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is BTWTYQUPDMJFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-12(7-2)14(18)9-15-10(3)13-8-16-17(5)11(13)4/h8,10,12,14-15,18H,6-7,9H2,1-5H3.
What are the key properties of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 110010526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).