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Chemical ID: 7152609
Chemical ID:
7152609
Name [?]:
N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-iodo-N,2-dimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2c(cnn2C)I)C
InChi [?]:
InChI=1/C14H20IN5O/c1-6-20-10(3)11(9(2)17-20)8-18(4)14(21)13-12(15)7-16-19(13)5/h7H,6,8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,21,11,19,2,16,9,6,4,5,15,14,12,20,17,7,10,18,3,13/rA:21nCCNCCCNCCNCCOCCCNNCIC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20IN5O |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6892 |
Area: | 477.785 |
Solvation: | -3.25542 |
Coulombic: | -24.4085 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 401.246 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.15 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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