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

C13H25N3O — CID 106810037

IUPAC2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol
SMILESCCCNC(CC)(CO)CCCn1cccn1
InChIInChI=1S/C13H25N3O/c1-3-8-14-13(4-2,12-17)7-5-10-16-11-6-9-15-16/h6,9,11,14,17H,3-5,7-8,10,12H2,1-2H3
InChIKeyGDPRGSNVTDVCMO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.80
Rot. Bonds9

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

2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol (PubChem CID 106810037) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol
PubChem CID106810037
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol
SMILESCCCNC(CC)(CO)CCCn1cccn1
InChIInChI=1S/C13H25N3O/c1-3-8-14-13(4-2,12-17)7-5-10-16-11-6-9-15-16/h6,9,11,14,17H,3-5,7-8,10,12H2,1-2H3
InChIKeyGDPRGSNVTDVCMO-UHFFFAOYSA-N
XLogP1.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol?
The IUPAC name of 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol (CID 106810037) is 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol?
The canonical SMILES for 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol is CCCNC(CC)(CO)CCCn1cccn1.
What is the InChIKey of 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol?
The InChIKey is GDPRGSNVTDVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-8-14-13(4-2,12-17)7-5-10-16-11-6-9-15-16/h6,9,11,14,17H,3-5,7-8,10,12H2,1-2H3.
What are the key properties of 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol?
2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol is sourced from PubChem (CID 106810037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).