tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate

C10H16BrN3O2 — CID 130831051

IUPACtert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate
SMILESCc1nn(C)c(NC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-6-7(11)8(14(5)13-6)12-9(15)16-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyIHRBXXABXOXMIK-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate

tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate (PubChem CID 130831051) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate
PubChem CID130831051
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Nametert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate
SMILESCc1nn(C)c(NC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-6-7(11)8(14(5)13-6)12-9(15)16-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyIHRBXXABXOXMIK-UHFFFAOYSA-N
XLogP2.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate (CID 130831051) is tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate is Cc1nn(C)c(NC(=O)OC(C)(C)C)c1Br.
What is the InChIKey of tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate?
The InChIKey is IHRBXXABXOXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-6-7(11)8(14(5)13-6)12-9(15)16-10(2,3)4/h1-5H3,(H,12,15).
What are the key properties of tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate?
tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate has a molecular weight of 290.16 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-1,3-dimethylpyrazol-5-yl)carbamate is sourced from PubChem (CID 130831051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).