tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

C15H25BrN4O2 — CID 118690668

IUPACtert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@H]1CCCN1c1cc(Br)nn1C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25BrN4O2/c1-15(2,3)22-14(21)18(4)10-11-7-6-8-20(11)13-9-12(16)17-19(13)5/h9,11H,6-8,10H2,1-5H3/t11-/m1/s1
InChIKeyZEERMNLSNWCILD-LLVKDONJSA-N
MW373.30 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 118690668) has the molecular formula C15H25BrN4O2 and a molecular weight of 373.30 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID118690668
Molecular FormulaC15H25BrN4O2
Molecular Weight373.30 g/mol
Exact Mass372.12
IUPAC Nametert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@H]1CCCN1c1cc(Br)nn1C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25BrN4O2/c1-15(2,3)22-14(21)18(4)10-11-7-6-8-20(11)13-9-12(16)17-19(13)5/h9,11H,6-8,10H2,1-5H3/t11-/m1/s1
InChIKeyZEERMNLSNWCILD-LLVKDONJSA-N
XLogP3.02
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl (2S,4R)-2-[(5-bromo-1-methylpyrazol-3-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate
CID 126653982
tert-butyl (2R,4S)-4-[3-bromo-4-isocyano-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazol-1-yl]-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 164780123
tert-butyl (2S,4S)-4-[3-bromo-4-isocyano-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazol-1-yl]-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 164780173
(3S)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
CID 117625468
N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]acetamide
CID 117625469
[1-(3-Bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid
CID 118690366
(R)-N-((1-(3-bromo-1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-yl)methyl)-N-methylacetamide
CID 118690465
N-[[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 118690466
1-[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 118690472
(3R)-1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
CID 118690498
1-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpyrrolidin-3-amine
CID 118690606
1-[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 118690665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 118690668) is tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is CN(C[C@H]1CCCN1c1cc(Br)nn1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is ZEERMNLSNWCILD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25BrN4O2/c1-15(2,3)22-14(21)18(4)10-11-7-6-8-20(11)13-9-12(16)17-19(13)5/h9,11H,6-8,10H2,1-5H3/t11-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 373.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 118690668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).