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

HCID 3563804

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Basic information

CAS: 152120-55-3
Standard SMILES: O=C(N=C(NC(=O)OCc1ccccc1)n1cccn1)OCc1ccccc1
InChIKey: NRBUVVTTYMTSKM-UHFFFAOYSA-N
Molecular formula: C20H18N4O4
Average molar mass: 378.4 g/mol

Names & identifiers

Preferred name: Phenylmethyl N-((((phenylmethoxy)carbonyl)amino)-1H-pyrazol-1-ylmethylene)carbamate
IUPAC: benzyl N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate

Names & synonyms

152120-55-3RefChem:861794Phenylmethyl N-((((phenylmethoxy)carbonyl)amino)-1H-pyrazol-1-ylmethylene)carbamateN,N'-BIS-Z-1-GUANYLPYRAZOLEN,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidineN,N'-Di-Cbz-pyrazole-1-carboxamidineMFCD02092983N,N'-Di-Cbz-1H-pyrazole-1-carbamidineBenzyl ((((benzyloxy)carbonyl)amino)(1H-pyrazol-1-yl)methylene)carbamateBenzyl ((((benzyloxy)carbonyl)amino)-(1H-pyrazol-1-yl)methylene)carbamatepyrazol(z)2N,N'-Bis(carbobenzoxy)-1H-pyrazole-1-carboxamidine

Show more names

A809261N,N'Bis(Bezyloxycarbonyl)1H-pyrazole1carboxamidineSCHEMBL670164SCHEMBL670165N,N`-Bis-Z-1-GuanylpyrazoleSCHEMBL5567091N,N inverted exclamation marka-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidinebenzyl (NZ)-N-[benzyloxycarbonylamino(pyrazol-1-yl)methylene]carbamate

Database identifiers

CAS: 152120-55-3
PubChem CID: 3563804
EC Number: 628-402-7

Properties

Computed structural propertiesFilling in

XLogP: 4.1
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 542

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.