tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate

C10H17N3O2 — CID 107860321

IUPACtert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-6-8(13(5)12-7)11-9(14)15-10(2,3)4/h6H,1-5H3,(H,11,14)
InChIKeyHZEIREVIKOVPCU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate

tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate (PubChem CID 107860321) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate
PubChem CID107860321
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-6-8(13(5)12-7)11-9(14)15-10(2,3)4/h6H,1-5H3,(H,11,14)
InChIKeyHZEIREVIKOVPCU-UHFFFAOYSA-N
XLogP2.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate (CID 107860321) is tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate is Cc1cc(NC(=O)OC(C)(C)C)n(C)n1.
What is the InChIKey of tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate?
The InChIKey is HZEIREVIKOVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-6-8(13(5)12-7)11-9(14)15-10(2,3)4/h6H,1-5H3,(H,11,14).
What are the key properties of tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate?
tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dimethylpyrazol-3-yl)carbamate is sourced from PubChem (CID 107860321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).