Chemical ID: 7152947

Cn1ccc(n1)CNC(=O)c2c(cnn2C)I
Chemical ID:
7152947
Name [?]:
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cn1ccc(n1)CNC(=O)c2c(cnn2C)I
InChi [?]:
InChI=1/C10H12IN5O/c1-15-4-3-7(14-15)5-12-10(17)9-8(11)6-13-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChi Info:
AuxInfo=1/1/N:1,16,4,3,7,13,5,12,11,9,17,8,14,6,2,15,10/rA:17nCNCCCNCNCOCCCNNCI/rB:s1;s2;d3;s4;s2d5;s5;s7;s8;d9;s9;d11;s12;d13;s11s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12IN5O
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.03316
Area:457.773
Solvation:-3.41117
Coulombic:-28.8273
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.14
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.2
LogP (Chemaxon):0.17

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Descriptor Annotations

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