1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

C12H23N3O — CID 65107886

IUPAC1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCn1cc(C(C)NCC(C)(O)CC)cn1
InChIInChI=1S/C12H23N3O/c1-5-12(4,16)9-13-10(3)11-7-14-15(6-2)8-11/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyFZQVIYODCPSYMZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.71
Rot. Bonds6

About 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 65107886) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID65107886
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCn1cc(C(C)NCC(C)(O)CC)cn1
InChIInChI=1S/C12H23N3O/c1-5-12(4,16)9-13-10(3)11-7-14-15(6-2)8-11/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyFZQVIYODCPSYMZ-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol (CID 65107886) is 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol is CCn1cc(C(C)NCC(C)(O)CC)cn1.
What is the InChIKey of 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is FZQVIYODCPSYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(4,16)9-13-10(3)11-7-14-15(6-2)8-11/h7-8,10,13,16H,5-6,9H2,1-4H3.
What are the key properties of 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).