[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol

C15H26BrN3O — CID 79571749

IUPAC[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1nc(C)c(Br)c1C
InChIInChI=1S/C15H26BrN3O/c1-4-17-15(10-20)8-5-6-13(15)7-9-19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3
InChIKeyZNNFAUSIHICKBE-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.79
Rot. Bonds6

About [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79571749) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID79571749
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1nc(C)c(Br)c1C
InChIInChI=1S/C15H26BrN3O/c1-4-17-15(10-20)8-5-6-13(15)7-9-19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3
InChIKeyZNNFAUSIHICKBE-UHFFFAOYSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol (CID 79571749) is [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCn1nc(C)c(Br)c1C.
What is the InChIKey of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is ZNNFAUSIHICKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-4-17-15(10-20)8-5-6-13(15)7-9-19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3.
What are the key properties of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 344.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).