tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate

C13H22N4O3 — CID 118531131

IUPACtert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)n1cccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16(5)10-9-15(4)11(18)17-8-6-7-14-17/h6-8H,9-10H2,1-5H3
InChIKeyYEPRRJPGFVACBT-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate (PubChem CID 118531131) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate
PubChem CID118531131
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)n1cccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16(5)10-9-15(4)11(18)17-8-6-7-14-17/h6-8H,9-10H2,1-5H3
InChIKeyYEPRRJPGFVACBT-UHFFFAOYSA-N
XLogP1.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Shi-14
CID 118526667
Shi-17
CID 118526814
Shi-13
CID 118526888
Shi-19
CID 118531075
Shi-16
CID 118526607
N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine
CID 9605068
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate
CID 118526591
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
CID 118526761
tert-butyl N-[2-[(4-cyanopyrazole-1-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 118531127
1-Boc-pyrazole
CID 14499414
1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole
CID 46738027
Tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate
CID 56810681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate (CID 118531131) is tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate is CN(CCN(C)C(=O)n1cccn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate?
The InChIKey is YEPRRJPGFVACBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16(5)10-9-15(4)11(18)17-8-6-7-14-17/h6-8H,9-10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 118531131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).