Chemical ID: 4639137

c1ccc(cc1)n2c(c(cn2)C#N)N
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

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Descriptor Annotations

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