tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate

C15H23BrN4O3 — CID 67388639

IUPACtert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCNC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Br
InChIInChI=1S/C15H23BrN4O3/c1-15(2,3)23-14(22)19-7-5-10(6-8-19)20-9-11(16)12(18-20)13(21)17-4/h9-10H,5-8H2,1-4H3,(H,17,21)
InChIKeyQORZQMUGBWODEA-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.58
Rot. Bonds2

About tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 67388639) has the molecular formula C15H23BrN4O3 and a molecular weight of 387.28 g/mol. Its IUPAC name is tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID67388639
Molecular FormulaC15H23BrN4O3
Molecular Weight387.28 g/mol
Exact Mass386.10
IUPAC Nametert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCNC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Br
InChIInChI=1S/C15H23BrN4O3/c1-15(2,3)23-14(22)19-7-5-10(6-8-19)20-9-11(16)12(18-20)13(21)17-4/h9-10H,5-8H2,1-4H3,(H,17,21)
InChIKeyQORZQMUGBWODEA-UHFFFAOYSA-N
XLogP2.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate 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-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
Ethyl 4-{[(4-bromo-1-methylpyrazol-3-yl)carbonylamino]thioxomethyl}piperazinec arboxylate
CID 1114512
4-bromo-1-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 17020975
4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19267516
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 19575349
(4-bromo-1-ethylpyrazol-5-yl)-N-cyclohexylcarboxamide
CID 892385
4-bromo-1-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 4772166
N-(4-acetamidocyclohexyl)-4-bromo-1-tert-butyl-N-methylpyrazole-3-carboxamide
CID 138035020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate (CID 67388639) is tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate is CNC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Br.
What is the InChIKey of tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is QORZQMUGBWODEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3/c1-15(2,3)23-14(22)19-7-5-10(6-8-19)20-9-11(16)12(18-20)13(21)17-4/h9-10H,5-8H2,1-4H3,(H,17,21).
What are the key properties of tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 387.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-bromo-3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67388639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).