Chemical ID: 4699052

c1cc(ccc1c2cn[nH]c2N)F
Chemical ID:
4699052
Name [?]:
4-(4-fluorophenyl)-2H-pyrazol-3-amine
SMILES [?]:
c1cc(ccc1c2cn[nH]c2N)F
InChi [?]:
InChI=1/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,6,3,7,11,13,12,9,10/E:(1,2)(3,4)/rA:13nCCCCCCCCNNCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8FN3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.56208
Area:327.297
Solvation:-2.62034
Coulombic:-29.9722
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.178
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.49
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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