Chemical ID: 7171371

CCn1cc(c(n1)C(=O)N)NC(=O)c2ccc(cc2)C
Chemical ID:
7171371
Name [?]:
1-ethyl-4-(4-methylbenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C14H16N4O2/c1-3-18-8-11(12(17-18)13(15)19)16-14(20)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,18,15,19,4,17,14,5,6,8,12,10,11,7,3,9,13/E:(4,5)(6,7)/rA:20nCCNCCCNCONNCOCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O2
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.74323
Area:474.67
Solvation:-2.12353
Coulombic:-54.2115
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.303
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.99
LogP (Chemaxon):1.89

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Descriptor Annotations

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