tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate

C14H23N3O2 — CID 99978628

IUPACtert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
SMILESCc1n[nH]c(C)c1[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-9-12(10(2)16-15-9)11-7-6-8-17(11)13(18)19-14(3,4)5/h11H,6-8H2,1-5H3,(H,15,16)/t11-/m1/s1
InChIKeyTYIFLCXRLDEEGR-LLVKDONJSA-N
MW265.36 g/mol
LogP3.10
Rot. Bonds1

About tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate (PubChem CID 99978628) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
PubChem CID99978628
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
SMILESCc1n[nH]c(C)c1[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-9-12(10(2)16-15-9)11-7-6-8-17(11)13(18)19-14(3,4)5/h11H,6-8H2,1-5H3,(H,15,16)/t11-/m1/s1
InChIKeyTYIFLCXRLDEEGR-LLVKDONJSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate (CID 99978628) is tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate is Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is TYIFLCXRLDEEGR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-12(10(2)16-15-9)11-7-6-8-17(11)13(18)19-14(3,4)5/h11H,6-8H2,1-5H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 99978628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).