5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

C14H26BrN3O — CID 64809603

IUPAC5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1nc(C)c(Br)c1C
InChIInChI=1S/C14H26BrN3O/c1-5-8-16-14(4,10-19)7-6-9-18-12(3)13(15)11(2)17-18/h16,19H,5-10H2,1-4H3
InChIKeyIZAXSSCKEUPNBW-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.79
Rot. Bonds8

About 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64809603) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64809603
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1nc(C)c(Br)c1C
InChIInChI=1S/C14H26BrN3O/c1-5-8-16-14(4,10-19)7-6-9-18-12(3)13(15)11(2)17-18/h16,19H,5-10H2,1-4H3
InChIKeyIZAXSSCKEUPNBW-UHFFFAOYSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (CID 64809603) is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCn1nc(C)c(Br)c1C.
What is the InChIKey of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is IZAXSSCKEUPNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-5-8-16-14(4,10-19)7-6-9-18-12(3)13(15)11(2)17-18/h16,19H,5-10H2,1-4H3.
What are the key properties of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 332.29 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64809603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).