tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate

C13H21N3O2 — CID 148649807

IUPACtert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
SMILESCn1ccc(C2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-5-10(9-16)11-6-7-15(4)14-11/h6-7,10H,5,8-9H2,1-4H3
InChIKeyNLRXBPXXWWFLFA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate (PubChem CID 148649807) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
PubChem CID148649807
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
SMILESCn1ccc(C2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-5-10(9-16)11-6-7-15(4)14-11/h6-7,10H,5,8-9H2,1-4H3
InChIKeyNLRXBPXXWWFLFA-UHFFFAOYSA-N
XLogP2.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-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

tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl 3-[4-(1-methylpyrazol-3-yl)-6-(3-oxocyclopentyl)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 168964925
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate (CID 148649807) is tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate is Cn1ccc(C2CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is NLRXBPXXWWFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-5-10(9-16)11-6-7-15(4)14-11/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 148649807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).