5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol

C14H26ClN3O — CID 106809977

IUPAC5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C14H26ClN3O/c1-5-14(10-19,16-6-2)8-7-9-18-12(4)13(15)11(3)17-18/h16,19H,5-10H2,1-4H3
InChIKeyLBJQTRGRZKYNOI-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.68
Rot. Bonds8

About 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol

5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106809977) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106809977
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C14H26ClN3O/c1-5-14(10-19,16-6-2)8-7-9-18-12(4)13(15)11(3)17-18/h16,19H,5-10H2,1-4H3
InChIKeyLBJQTRGRZKYNOI-UHFFFAOYSA-N
XLogP2.68
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106809977) is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCn1nc(C)c(Cl)c1C.
What is the InChIKey of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is LBJQTRGRZKYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-5-14(10-19,16-6-2)8-7-9-18-12(4)13(15)11(3)17-18/h16,19H,5-10H2,1-4H3.
What are the key properties of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 287.83 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106809977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).