Chemical ID: 7158133

CCn1cc(c(n1)C(=O)N)NC(=O)c2c(nn(c2C)CC)C
Chemical ID:
7158133
Name [?]:
N-(3-carbamoyl-1-ethyl-pyrazol-4-yl)-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2c(nn(c2C)CC)C
InChi [?]:
InChI=1/C14H20N6O2/c1-5-19-7-10(12(18-19)13(15)21)16-14(22)11-8(3)17-20(6-2)9(11)4/h7H,5-6H2,1-4H3,(H2,15,21)(H,16,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,19,2,20,4,15,18,5,14,6,8,12,10,11,16,7,3,17,9,13/rA:22nCCNCCCNCONNCOCCNNCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d14s17;s18;s17;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N6O2
All Atoms:42
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0889
Area:523.402
Solvation:-2.99611
Coulombic:-55.7617
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.348
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.85
LogP (Chemaxon):0.22

Name Annotations

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Descriptor Annotations

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