4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole

C15H26BrN3 — CID 66467439

IUPAC4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1CC1(C(C)(C)C)CCCN1
InChIInChI=1S/C15H26BrN3/c1-6-19-12(13(16)11(2)18-19)10-15(14(3,4)5)8-7-9-17-15/h17H,6-10H2,1-5H3
InChIKeyBVTRBXNCHGLFTG-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.68
Rot. Bonds3

About 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole

4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole (PubChem CID 66467439) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole
PubChem CID66467439
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1CC1(C(C)(C)C)CCCN1
InChIInChI=1S/C15H26BrN3/c1-6-19-12(13(16)11(2)18-19)10-15(14(3,4)5)8-7-9-17-15/h17H,6-10H2,1-5H3
InChIKeyBVTRBXNCHGLFTG-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole 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-ethyl-5-[(2-ethylpyrrolidin-2-yl)methyl]-3-methylpyrazole
CID 66466236
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propan-2-ylazepane
CID 79118212
[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025196
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
CID 66466489
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81011005
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolane-2-carboxylic acid
CID 83173593
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569367
5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
CID 66465162
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolan-2-yl]methanamine
CID 83173761
4-bromo-1-ethyl-3-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 79451117
4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole
CID 66468066
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451689

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole (CID 66467439) is 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Br)c1CC1(C(C)(C)C)CCCN1.
What is the InChIKey of 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole?
The InChIKey is BVTRBXNCHGLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-6-19-12(13(16)11(2)18-19)10-15(14(3,4)5)8-7-9-17-15/h17H,6-10H2,1-5H3.
What are the key properties of 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole?
4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole has a molecular weight of 328.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 66467439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).