3-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopropylpropanenitrile

HCID 86637293
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Basic information

Standard SMILES
N#CCC(C1CC1)n1cc(-c2ccnc(Cl)n2)cn1
InChIKey
SZAGXCVERVIBTN-UHFFFAOYSA-N
Molecular formula
C13H12ClN5
Average molar mass
273.72 g/mol

Names & identifiers

Preferred name
3-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopropylpropanenitrile
IUPAC
3-[4-(2-chloropyrimidin-4-yl)pyrazol-1-yl]-3-cyclopropylpropanenitrile

Names & synonyms

SCHEMBL3713519SZAGXCVERVIBTN-UHFFFAOYSA-N3-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopropylpropanenitrile

Database identifiers

PubChem CID
86637293

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

4 records
New reaction record

Linked notes

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