tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole

C12H21N3O2 — CID 164552923

IUPACtert-butyl pyrrolidine-1-carboxylate;1H-pyrazole
SMILESCC(C)(C)OC(=O)N1CCCC1.c1cn[nH]c1
InChIInChI=1S/C9H17NO2.C3H4N2/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-2-4-5-3-1/h4-7H2,1-3H3;1-3H,(H,4,5)
InChIKeyXYQJENGUILWEBV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.43
Rot. Bonds

About tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole

tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole (PubChem CID 164552923) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole.

Molecular Properties

Compound Nametert-butyl pyrrolidine-1-carboxylate;1H-pyrazole
PubChem CID164552923
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl pyrrolidine-1-carboxylate;1H-pyrazole
SMILESCC(C)(C)OC(=O)N1CCCC1.c1cn[nH]c1
InChIInChI=1S/C9H17NO2.C3H4N2/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-2-4-5-3-1/h4-7H2,1-3H3;1-3H,(H,4,5)
InChIKeyXYQJENGUILWEBV-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl pyrrolidine-1-carboxylate;1H-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

tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole
CID 143478725
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde
CID 175496203
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole?
The IUPAC name of tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole (CID 164552923) is tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole.
What is the SMILES notation for tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole?
The canonical SMILES for tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole is CC(C)(C)OC(=O)N1CCCC1.c1cn[nH]c1.
What is the InChIKey of tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole?
The InChIKey is XYQJENGUILWEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C3H4N2/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-2-4-5-3-1/h4-7H2,1-3H3;1-3H,(H,4,5).
What are the key properties of tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole?
tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole has a molecular weight of 239.32 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole is sourced from PubChem (CID 164552923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).