6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

C15H28ClN3O — CID 64810240

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C15H28ClN3O/c1-5-9-17-15(4,11-20)8-6-7-10-19-13(3)14(16)12(2)18-19/h17,20H,5-11H2,1-4H3
InChIKeyNDPLVZUCGICNOE-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.07
Rot. Bonds9

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64810240) has the molecular formula C15H28ClN3O and a molecular weight of 301.86 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64810240
Molecular FormulaC15H28ClN3O
Molecular Weight301.86 g/mol
Exact Mass301.19
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C15H28ClN3O/c1-5-9-17-15(4,11-20)8-6-7-10-19-13(3)14(16)12(2)18-19/h17,20H,5-11H2,1-4H3
InChIKeyNDPLVZUCGICNOE-UHFFFAOYSA-N
XLogP3.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.07
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-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64810240) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCn1nc(C)c(Cl)c1C.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is NDPLVZUCGICNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O/c1-5-9-17-15(4,11-20)8-6-7-10-19-13(3)14(16)12(2)18-19/h17,20H,5-11H2,1-4H3.
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 301.86 g/mol, XLogP of 3.07, 9 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-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64810240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).