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Chemical ID: 7171397
Chemical ID:
7171397
Name [?]:
1-ethyl-4-(2-methylbenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2ccccc2C
InChi [?]:
InChI=1/C14H16N4O2/c1-3-18-8-11(12(17-18)13(15)19)16-14(20)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,17,16,18,15,4,19,14,5,6,8,12,10,11,7,3,9,13/rA:20nCCNCCCNCONNCOCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52695 |
Area: | 463.291 |
Solvation: | -2.05531 |
Coulombic: | -54.3767 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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