tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate

C11H18N4O2 — CID 178113267

IUPACtert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate
SMILESCC/N=C(\NC(=O)OC(C)(C)C)n1cccn1
InChIInChI=1S/C11H18N4O2/c1-5-12-9(15-8-6-7-13-15)14-10(16)17-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,14,16)
InChIKeyUSKUYHPERHIQOX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate

tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate (PubChem CID 178113267) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate
PubChem CID178113267
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nametert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate
SMILESCC/N=C(\NC(=O)OC(C)(C)C)n1cccn1
InChIInChI=1S/C11H18N4O2/c1-5-12-9(15-8-6-7-13-15)14-10(16)17-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,14,16)
InChIKeyUSKUYHPERHIQOX-UHFFFAOYSA-N
XLogP1.63
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]-pyrazol-1-yl(113C)methylidene]carbamate
CID 131847008
tert-butyl N-(N-butoxycarbonyl-C-pyrazol-1-ylcarbonimidoyl)carbamate
CID 68974676
tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate
CID 137402273
tert-butyl pyrazole-1-carboxylate
CID 14499414
[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-pyrazol-1-ylpropylidene]carbamic acid
CID 175690884
tert-butyl N-(4-imino-2-oxo-4-pyrazol-1-ylbutyl)carbamate
CID 167670510
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
tert-butyl N-(2-methoxyethyl)-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-C-pyrazol-1-ylcarbonimidoyl]carbamate
CID 72830131
tert-butyl N-(2-methoxyethyl)-N-[(Z)-N-[(2-methylpropan-2-yl)oxycarbonyl]-C-pyrazol-1-ylcarbonimidoyl]carbamate
CID 23232380
2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane
CID 164977134
tert-butyl N-[2-[[N'-methyl-N-(2-pyrazol-1-ylethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111883489
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl-[N-[(2-methylpropan-2-yl)oxycarbonyl]-C-pyrazol-1-ylcarbonimidoyl]carbamic acid
CID 70299667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate?
The IUPAC name of tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate (CID 178113267) is tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate.
What is the SMILES notation for tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate?
The canonical SMILES for tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate is CC/N=C(\NC(=O)OC(C)(C)C)n1cccn1.
What is the InChIKey of tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate?
The InChIKey is USKUYHPERHIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-5-12-9(15-8-6-7-13-15)14-10(16)17-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,14,16).
What are the key properties of tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate?
tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate is sourced from PubChem (CID 178113267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).