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Phenyl [1-methyl-5-(tritylamino)pyrazol-4-yl]carbamate

HCID 21904567
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cn1ncc(NC(=O)Oc2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
JQUGGROFFNEWEN-UHFFFAOYSA-N
Molecular formula
C30H26N4O2
Average molar mass
474.6 g/mol

Names & identifiers

Preferred name
Phenyl [1-methyl-5-(tritylamino)pyrazol-4-yl]carbamate
IUPAC
phenyl N-[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamate

Names & synonyms

phenyl [1-methyl-5-(tritylamino)pyrazol-4-yl]carbamateSCHEMBL3105963JQUGGROFFNEWEN-UHFFFAOYSA-N689294-26-6DB-1258191-methyl-4-phenoxycarbonylamino-5-triphenylmethylaminopyrazolephenyl [1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]carbamatephenyl N-[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]carbamate

Database identifiers

PubChem CID
21904567

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
68.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
633

Related reactions

22 records
New reaction record
HRID 102183 reaction equation
HRID 102183As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 156151 reaction equation
HRID 156151As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 166224 reaction equation
HRID 166224As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 201035 reaction equation
HRID 201035As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 459607 reaction equation
HRID 459607As productuspto-grants-2007_03
HRID 459609 reaction equation
HRID 459609As reactantuspto-grants-2007_03
HRID 459611 reaction equation
HRID 459611As reactantuspto-grants-2007_03
HRID 459655 reaction equation
HRID 459655As reactantuspto-grants-2007_03
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Compound notes

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