ChemDB: Chemical Search
Download
Chemical ID: 4699052
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|