tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate

C15H24N4O3 — CID 51079264

IUPACtert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C15H24N4O3/c1-10-9-12(18(5)17-10)16-13(20)11-7-6-8-19(11)14(21)22-15(2,3)4/h9,11H,6-8H2,1-5H3,(H,16,20)
InChIKeyKRNQOMFUEKADKP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.07
Rot. Bonds2

About tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 51079264) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID51079264
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C15H24N4O3/c1-10-9-12(18(5)17-10)16-13(20)11-7-6-8-19(11)14(21)22-15(2,3)4/h9,11H,6-8H2,1-5H3,(H,16,20)
InChIKeyKRNQOMFUEKADKP-UHFFFAOYSA-N
XLogP2.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 51079264) is tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate is Cc1cc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)n(C)n1.
What is the InChIKey of tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is KRNQOMFUEKADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-9-12(18(5)17-10)16-13(20)11-7-6-8-19(11)14(21)22-15(2,3)4/h9,11H,6-8H2,1-5H3,(H,16,20).
What are the key properties of tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 51079264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).