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Chemical ID: 6307124
Chemical ID:
6307124
Name [?]:
N-(2-ethylphenyl)-1,5-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)c2cnn(c2C)C
InChi [?]:
InChI=1/C14H17N3O/c1-4-11-7-5-6-8-13(11)16-14(18)12-9-15-17(3)10(12)2/h5-9H,4H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,5,6,4,7,13,16,3,12,8,10,14,9,15,11/rA:18nCCCCCCCCNCOCCNNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d12s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.3127 |
Area: | 434.936 |
Solvation: | -2.5607 |
Coulombic: | -25.2148 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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