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4-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amine

HCID 11586329
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
764642-91-3
Standard SMILES
Cn1ncc(CCCN)c1N
InChIKey
XNSAVWKLLHPJKT-UHFFFAOYSA-N
Molecular formula
C7H14N4
Average molar mass
154.21 g/mol
Monoisotopic mass
154.12184646

Names & identifiers

Preferred name
4-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amine
IUPAC
4-(3-aminopropyl)-1-methylpyrazol-5-amine
English name
1H-Pyrazole-4-propanamine,5-amino-1-methyl-(9CI)
Molecular formula
C7H14N4
Molecular weight
154.21286

Names & synonyms

764642-91-34-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amineAAA48392DB-2680261H-PYRAZOLE-4-PROPANAMINE, 5-AMINO-1-METHYL-1H-Pyrazole-4-propanamine,5-amino-1-methyl-(9CI)

Database identifiers

CAS
764642-91-3
PubChem CID
11586329

Properties

Computed structural propertiesFilling in

XLogP
-0.4
Topological polar surface area
69.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
117

Related reactions

1 records
New reaction record
HRID 289942 reaction equation
HRID 289942As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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