ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate

C11H19N3O2 — CID 110470603

IUPACethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
SMILESCCOC(=O)Nc1cc(C)nn1C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-6-16-10(15)12-9-7-8(2)13-14(9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyZRDJBMSEQMZOSK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.51
Rot. Bonds2

About ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate

ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate (PubChem CID 110470603) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
PubChem CID110470603
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
SMILESCCOC(=O)Nc1cc(C)nn1C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-6-16-10(15)12-9-7-8(2)13-14(9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyZRDJBMSEQMZOSK-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
N-(1-(tert-Butyl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 6621900
tert-butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate
CID 11321537
2,2,2-trifluoroethyl N-(1,5-dimethyl-1H-pyrazol-3-yl)carbamate
CID 129912647
ethyl N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]carbamate
CID 135753000
ethyl (1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)carbamate
CID 135753150
prop-1-en-2-yl N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamate
CID 66728821
tert-butyl N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]carbamate
CID 177766172
3-(Tert-butylamino)-5-methylpyrazole-1-carboxamide
CID 85564394
2,2,2-trifluoroethyl N-(1,3-dimethyl-1H-pyrazol-5-yl)carbamate
CID 45792150
2,2,2-trifluoroethyl N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]carbamate
CID 50987764
2,2,2-trifluoroethyl N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)carbamate
CID 52908165

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The IUPAC name of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate (CID 110470603) is ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate is CCOC(=O)Nc1cc(C)nn1C(C)(C)C.
What is the InChIKey of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The InChIKey is ZRDJBMSEQMZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-6-16-10(15)12-9-7-8(2)13-14(9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 110470603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).