1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

C15H26BrN3O — CID 79055865

IUPAC1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCCc1nn(C)c(CC(O)C(C)(C)N2CCCC2)c1Br
InChIInChI=1S/C15H26BrN3O/c1-5-11-14(16)12(18(4)17-11)10-13(20)15(2,3)19-8-6-7-9-19/h13,20H,5-10H2,1-4H3
InChIKeyGGADDNGCBBBGLU-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 79055865) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID79055865
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCCc1nn(C)c(CC(O)C(C)(C)N2CCCC2)c1Br
InChIInChI=1S/C15H26BrN3O/c1-5-11-14(16)12(18(4)17-11)10-13(20)15(2,3)19-8-6-7-9-19/h13,20H,5-10H2,1-4H3
InChIKeyGGADDNGCBBBGLU-UHFFFAOYSA-N
XLogP2.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (CID 79055865) is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is CCc1nn(C)c(CC(O)C(C)(C)N2CCCC2)c1Br.
What is the InChIKey of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is GGADDNGCBBBGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-5-11-14(16)12(18(4)17-11)10-13(20)15(2,3)19-8-6-7-9-19/h13,20H,5-10H2,1-4H3.
What are the key properties of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 344.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 79055865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).