Chemical ID: 6715110

Cc1cc(=O)n([nH]1)c2ccc(cc2)N
Chemical ID:
6715110
Name [?]:
2-(4-aminophenyl)-5-methyl-1H-pyrazol-3-one
SMILES [?]:
Cc1cc(=O)n([nH]1)c2ccc(cc2)N
InChi [?]:
InChI=1/C10H11N3O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-6,12H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,12,9,13,3,2,11,8,4,14,7,6,5/E:(2,3)(4,5)/rA:14nCCCCONNCCCCCCN/rB:s1;d2;s3;d4;s4;s2s6;s6;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.80302
Area:354.844
Solvation:-2.06809
Coulombic:-38.0472
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.214
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.87
LogP (Chemaxon):0.57

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Descriptor Annotations

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