Chemical ID: 6299514

c1c(cn[nH]1)C=O
Chemical ID:
6299514
Name [?]:
1H-pyrazole-4-carbaldehyde
SMILES [?]:
c1c(cn[nH]1)C=O
InChi [?]:
InChI=1/C4H4N2O/c7-3-4-1-5-6-2-4/h1-3H,(H,5,6)
InChi Info:
AuxInfo=1/1/N:1,3,6,2,5,4,7/E:(1,2)(5,6)/rA:7nCCCNNCO/rB:d1;s2;d3;s1s4;s2;d6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N2O
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:2.98215
Area:237.381
Solvation:-2.95238
Coulombic:-14.5596
Bond Count [?]
All:7
Single:4
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:96.0874
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.41
LogP (Chemaxon):0.05

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Descriptor Annotations

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