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

C10H17N3O2 — CID 67304447

IUPACtert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
SMILESCc1c(NC(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-11-13(7)5)12-9(14)15-10(2,3)4/h6H,1-5H3,(H,12,14)
InChIKeyXIRNUFPLHMLHIY-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.08
Rot. Bonds1

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

tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate (PubChem CID 67304447) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
PubChem CID67304447
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
SMILESCc1c(NC(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-11-13(7)5)12-9(14)15-10(2,3)4/h6H,1-5H3,(H,12,14)
InChIKeyXIRNUFPLHMLHIY-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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Related Compounds

tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
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
tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
CID 142427527
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
methyl (E)-4-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-5-yl]but-3-enoate
CID 134607430
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
(3S)-3-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79584929
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate (CID 67304447) is tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate is Cc1c(NC(=O)OC(C)(C)C)cnn1C.
What is the InChIKey of tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate?
The InChIKey is XIRNUFPLHMLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(6-11-13(7)5)12-9(14)15-10(2,3)4/h6H,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate?
tert-butyl N-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-yl)carbamate is sourced from PubChem (CID 67304447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).