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

HCID 4428040

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Basic information

CAS: 152120-54-2
Standard SMILES: CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1
InChIKey: QFNFDHNZVTWZED-UHFFFAOYSA-N
Molecular formula: C14H22N4O4
Average molar mass: 310.35 g/mol

Names & identifiers

Preferred name: N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
IUPAC: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate

Names & synonyms

N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidineRefChem:821839629-085-8152120-54-2N,N'-Di-Boc-1H-pyrazole-1-carboxamidinetert-Butyl (((tert-butoxycarbonyl)amino)(1H-pyrazol-1-yl)methylene)carbamateN,N'-Di-Boc-pyrazole-1-carboxamidineN,N'-BIS-BOC-1-GUANYLPYRAZOLEMFCD01075122N,N'-Bis-Boc-1-GuanylpyrazolN,N-Bis-Boc-1-GuanylpyrazoleBis-Boc-pyrazolocarboxamidine

Show more names

tert-Butyl [(Boc-amino)(1H-pyrazol-1-yl)methylene]carbamatetert-butyl N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamate1143572-00-2DTXSID90423002AS-11124Laninamivir Impurity 4Z1741971467SCHEMBL8121

Database identifiers

CAS: 152120-54-2
PubChem CID: 4428040
ChEMBL: CHEMBL4976349
EC Number: 629-085-8

Properties

Computed structural propertiesFilling in

XLogP: 3.1
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 449

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.