4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole

C11H18BrN3 — CID 130920691

IUPAC4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCn1cc(CN2CCC(C)(CBr)C2)cn1
InChIInChI=1S/C11H18BrN3/c1-11(8-12)3-4-15(9-11)7-10-5-13-14(2)6-10/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWSVWXICWZQKJNX-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.03
Rot. Bonds3

About 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole

4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole (PubChem CID 130920691) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
PubChem CID130920691
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCn1cc(CN2CCC(C)(CBr)C2)cn1
InChIInChI=1S/C11H18BrN3/c1-11(8-12)3-4-15(9-11)7-10-5-13-14(2)6-10/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWSVWXICWZQKJNX-UHFFFAOYSA-N
XLogP2.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-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

[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
ethane;4-ethyl-1-methylpyrazole
CID 143829284
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
CID 97411922
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole (CID 130920691) is 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole is Cn1cc(CN2CCC(C)(CBr)C2)cn1.
What is the InChIKey of 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
The InChIKey is WSVWXICWZQKJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-11(8-12)3-4-15(9-11)7-10-5-13-14(2)6-10/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole has a molecular weight of 272.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 130920691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).