Chemical ID: 7196494

Cc1c(c(n(n1)Cc2cccc(c2)Cl)C)N
Chemical ID:
7196494
Name [?]:
1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-amine
SMILES [?]:
Cc1c(c(n(n1)Cc2cccc(c2)Cl)C)N
InChi [?]:
InChI=1/C12H14ClN3/c1-8-12(14)9(2)16(15-8)7-10-4-3-5-11(13)6-10/h3-6H,7,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,10,9,11,13,7,2,4,8,12,3,14,16,6,5/rA:16nCCCCNNCCCCCCCClCN/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;d11;d8s12;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClN3
All Atoms:30
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.53284
Area:418.419
Solvation:-1.92763
Coulombic:-22.2271
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:235.712
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.82
LogP (Chemaxon):2.02

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Descriptor Annotations

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