Chemical ID: 7152609

CCn1c(c(c(n1)C)CN(C)C(=O)c2c(cnn2C)I)C
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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Descriptor Annotations

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