N,N'-Bis-boc-1-guanylpyrazole

C₁₄H₂₂N₄O₄CAS 152120-54-2310.35 g/mol

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Properties

Molecular formula: C₁₄H₂₂N₄O₄
Molar mass: 310.35 g/mol
Exact mass: 310.1641 Da
logP: 2.55Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation93.5% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

152120-54-2

SMILES

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

InChIKey

QFNFDHNZVTWZED-UHFFFAOYSA-N

InChI

InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)

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Names and synonyms

1 names

N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine

Work with N,N'-Bis-boc-1-guanylpyrazole

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

1,3-Di-boc-2-methylisothiourea107819-90-948 % similar Di-tert-butyl-iminodicarboxylate51779-32-940 % similar Boc-guanidine219511-71-438 % similar 1,3-Di-Boc-2-(2-hydroxyethyl)guanidine215050-11-637 % similar 2-(Boc-amino)pyridine38427-94-037 % similar 4-(Boc-amino)pyridine98400-69-236 % similar Di-tert-butyl azodicarboxylate870-50-836 % similar 2-tert-Butoxycarbonylamino-acrylic acid methyl ester55477-80-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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