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

C12H22BrN3O — CID 64809602

IUPAC5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCn1nc(C)c(Br)c1C
InChIInChI=1S/C12H22BrN3O/c1-9-11(13)10(2)16(15-9)7-5-6-12(3,8-17)14-4/h14,17H,5-8H2,1-4H3
InChIKeyARQAPYYRPJLDNW-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.01
Rot. Bonds6

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

5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64809602) has the molecular formula C12H22BrN3O and a molecular weight of 304.23 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64809602
Molecular FormulaC12H22BrN3O
Molecular Weight304.23 g/mol
Exact Mass303.09
IUPAC Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCn1nc(C)c(Br)c1C
InChIInChI=1S/C12H22BrN3O/c1-9-11(13)10(2)16(15-9)7-5-6-12(3,8-17)14-4/h14,17H,5-8H2,1-4H3
InChIKeyARQAPYYRPJLDNW-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.01
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-(methylamino)pentan-1-ol?
The IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 64809602) is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCn1nc(C)c(Br)c1C.
What is the InChIKey of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is ARQAPYYRPJLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O/c1-9-11(13)10(2)16(15-9)7-5-6-12(3,8-17)14-4/h14,17H,5-8H2,1-4H3.
What are the key properties of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 304.23 g/mol, XLogP of 2.01, 6 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-(methylamino)pentan-1-ol is sourced from PubChem (CID 64809602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).