6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol

C14H26ClN3O — CID 64810863

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C14H26ClN3O/c1-5-16-14(4,10-19)8-6-7-9-18-12(3)13(15)11(2)17-18/h16,19H,5-10H2,1-4H3
InChIKeyWTXKQDFJEKZTII-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.68
Rot. Bonds8

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64810863) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64810863
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C14H26ClN3O/c1-5-16-14(4,10-19)8-6-7-9-18-12(3)13(15)11(2)17-18/h16,19H,5-10H2,1-4H3
InChIKeyWTXKQDFJEKZTII-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol (CID 64810863) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCn1nc(C)c(Cl)c1C.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is WTXKQDFJEKZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-5-16-14(4,10-19)8-6-7-9-18-12(3)13(15)11(2)17-18/h16,19H,5-10H2,1-4H3.
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-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 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64810863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).