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Chemical ID: 4639137
Chemical ID:
4639137
Name [?]:
5-amino-1-phenyl-pyrazole-4-carbonitrile
SMILES [?]:
c1ccc(cc1)n2c(c(cn2)C#N)N
InChi [?]:
InChI=1/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,9,4,8,13,14,11,7/E:(2,3)(4,5)/rA:14nCCCCCCNCCCNCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;t12;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.06518 |
Area: | 358.678 |
Solvation: | -1.90178 |
Coulombic: | -25.3093 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 184.197 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.91 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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