4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole

C14H24BrN3O — CID 114656507

IUPAC4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
SMILESCOCCn1ncc(Br)c1C1(CC(C)C)CCCN1
InChIInChI=1S/C14H24BrN3O/c1-11(2)9-14(5-4-6-16-14)13-12(15)10-17-18(13)7-8-19-3/h10-11,16H,4-9H2,1-3H3
InChIKeyIDEFOTJATHILDT-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.92
Rot. Bonds6

About 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole

4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole (PubChem CID 114656507) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
PubChem CID114656507
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
SMILESCOCCn1ncc(Br)c1C1(CC(C)C)CCCN1
InChIInChI=1S/C14H24BrN3O/c1-11(2)9-14(5-4-6-16-14)13-12(15)10-17-18(13)7-8-19-3/h10-11,16H,4-9H2,1-3H3
InChIKeyIDEFOTJATHILDT-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656505
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propan-2-ylazepane
CID 114657368
2-[4-bromo-5-(2-propylpyrrolidin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114656453
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4,4-dimethylcycloheptan-1-ol
CID 114636278
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114634004
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethyloxan-4-ol
CID 114635847
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylcyclopentan-1-ol
CID 114665161
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635862
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydroxymethyl]cyclohexan-1-ol
CID 103451810
2-[4-bromo-5-(2-methylazepan-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114657327

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole (CID 114656507) is 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole is COCCn1ncc(Br)c1C1(CC(C)C)CCCN1.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
The InChIKey is IDEFOTJATHILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-11(2)9-14(5-4-6-16-14)13-12(15)10-17-18(13)7-8-19-3/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole has a molecular weight of 330.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 114656507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).