tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate

C14H21N3O3 — CID 107091980

IUPACtert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
SMILESCn1nccc1C(=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-6-10(9-17)12(18)11-5-7-15-16(11)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeyRIANZRZGLBKSHP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds2

About tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 107091980) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
PubChem CID107091980
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
SMILESCn1nccc1C(=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-6-10(9-17)12(18)11-5-7-15-16(11)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeyRIANZRZGLBKSHP-UHFFFAOYSA-N
XLogP1.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(4-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-1-carboxylate
CID 107092100
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
tert-butyl 3-(2,6-difluorobenzoyl)pyrrolidine-1-carboxylate
CID 107091983
tert-butyl 3-(5-bromo-3-methyltriazole-4-carbonyl)pyrrolidine-1-carboxylate
CID 107092128
tert-butyl 3-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)pyrrolidine-1-carboxylate
CID 58529901
tert-butyl 2-methylpyrazole-3-carboxylate
CID 63896646
tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate
CID 107092130
tert-butyl 3-(4-fluoro-2-methylbenzoyl)pyrrolidine-1-carboxylate
CID 107091958
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate (CID 107091980) is tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate is Cn1nccc1C(=O)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is RIANZRZGLBKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-6-10(9-17)12(18)11-5-7-15-16(11)4/h5,7,10H,6,8-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107091980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).