2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol

C12H23N3O — CID 106810035

IUPAC2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol
SMILESCCNC(CC)(CO)CCCn1cccn1
InChIInChI=1S/C12H23N3O/c1-3-12(11-16,13-4-2)7-5-9-15-10-6-8-14-15/h6,8,10,13,16H,3-5,7,9,11H2,1-2H3
InChIKeyIPYHFLVYVXLYJN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.41
Rot. Bonds8

About 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol

2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol (PubChem CID 106810035) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol
PubChem CID106810035
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol
SMILESCCNC(CC)(CO)CCCn1cccn1
InChIInChI=1S/C12H23N3O/c1-3-12(11-16,13-4-2)7-5-9-15-10-6-8-14-15/h6,8,10,13,16H,3-5,7,9,11H2,1-2H3
InChIKeyIPYHFLVYVXLYJN-UHFFFAOYSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol (CID 106810035) is 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol is CCNC(CC)(CO)CCCn1cccn1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol?
The InChIKey is IPYHFLVYVXLYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-12(11-16,13-4-2)7-5-9-15-10-6-8-14-15/h6,8,10,13,16H,3-5,7,9,11H2,1-2H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol?
2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol is sourced from PubChem (CID 106810035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).