Chemical ID: 7007140

Cc1cc(n(n1)C(=O)c2ccccc2N)C
Chemical ID:
7007140
Name [?]:
(2-aminophenyl)-(3,5-dimethylpyrazol-1-yl)-methanone
SMILES [?]:
Cc1cc(n(n1)C(=O)c2ccccc2N)C
InChi [?]:
InChI=1/C12H13N3O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,12,10,13,3,2,4,9,14,7,15,6,5,8/rA:16nCCCCNNCOCCCCCCNC/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O
All Atoms:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.96455
Area:384.654
Solvation:-1.65181
Coulombic:-32.7404
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.251
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.07
LogP (Chemaxon):1.68

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Descriptor Annotations

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