tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate

C13H23N3O2 — CID 65142573

IUPACtert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate
SMILESCc1nn(C(C)C)c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)16-10(4)11(9(3)15-16)14-12(17)18-13(5,6)7/h8H,1-7H3,(H,14,17)
InChIKeyNASAJGAJLWJPCC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate

tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate (PubChem CID 65142573) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate
PubChem CID65142573
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nametert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate
SMILESCc1nn(C(C)C)c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)16-10(4)11(9(3)15-16)14-12(17)18-13(5,6)7/h8H,1-7H3,(H,14,17)
InChIKeyNASAJGAJLWJPCC-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
CID 39891339
methyl 3-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)propanoate
CID 63948693
N'-[(tert-butoxy)carbonyl]-N-(trimethyl-1H-pyrazol-4-yl)(tert-butoxy)carbohydrazide
CID 137943570
tert-butyl N-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]carbamate
CID 138008207
tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
CID 43546929
Tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
CID 75512015
tert-butyl N-[2-methyl-1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate
CID 178265704
2,2,2-trifluoroethyl N-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]carbamate
CID 45835096
2,2,2-trifluoroethyl N-(1,3,5-trimethylpyrazol-4-yl)carbamate
CID 60705801
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide
CID 63374607
tert-butyl N-[2,2-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propyl]carbamate
CID 104954030
tert-butyl N-{[4-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl}carbamate
CID 165924095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate (CID 65142573) is tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate is Cc1nn(C(C)C)c(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate?
The InChIKey is NASAJGAJLWJPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)16-10(4)11(9(3)15-16)14-12(17)18-13(5,6)7/h8H,1-7H3,(H,14,17).
What are the key properties of tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate?
tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate has a molecular weight of 253.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate is sourced from PubChem (CID 65142573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).