chempirical

Phenylmethyl N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]carbamate

C20H18N4O4CAS 152120-55-3378.39 g/mol

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ONNHOONNO
Imine

Properties

Molecular formula
C20H18N4O4
Molar mass
378.39 g/mol
Exact mass
378.1328 Da
logP
3.55Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
152120-55-3
SMILES
O=C(N=C(N=C(O)OCc1ccccc1)n1cccn1)OCc1ccccc1
InChIKey
NRBUVVTTYMTSKM-UHFFFAOYSA-N
InChI
InChI=1S/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26)

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Names and synonyms

5 names
  • Carbamic acid, N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-, phenylmethyl ester
  • 1-[N,N′-Bis(benzyloxycarbonyl)amidino]pyrazole
  • 1-[N1,N2-Bis(benzyloxycarbonyl)amidino]pyrazole
  • Carbamic acid, [[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-, phenylmethyl ester
  • 1H-Pyrazole-N,N′-bis(benzyloxycarbonyl)carboxamidine

Work with Phenylmethyl N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]carbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl N-hydroxycarbamate3426-71-947 % similar 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate2449-05-046 % similar Benzyloxycarbonylglycine1138-80-344 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-944 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-843 % similar N-Benzyloxycarbonyl-dl-serine2768-56-143 % similar Phenylmethyl hydrazinecarboxylate5331-43-143 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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