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Chemical ID: 7196494
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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