tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate

C9H14BrN3O2 — CID 146155648

IUPACtert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-9(2,3)15-8(14)12-6-5-11-13(4)7(6)10/h5H,1-4H3,(H,12,14)
InChIKeyOUJBNTIXYZUIFA-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate

tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate (PubChem CID 146155648) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
PubChem CID146155648
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Nametert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-9(2,3)15-8(14)12-6-5-11-13(4)7(6)10/h5H,1-4H3,(H,12,14)
InChIKeyOUJBNTIXYZUIFA-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
methyl (E)-4-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-5-yl]but-3-enoate
CID 134607430
tert-butyl N-(6-bromopyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 137347375
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
CID 142427527
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate
CID 171597790

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate (CID 146155648) is tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate is Cn1ncc(NC(=O)OC(C)(C)C)c1Br.
What is the InChIKey of tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate?
The InChIKey is OUJBNTIXYZUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-9(2,3)15-8(14)12-6-5-11-13(4)7(6)10/h5H,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate?
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate has a molecular weight of 276.13 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate is sourced from PubChem (CID 146155648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).