Chemical ID: 6307124

CCc1ccccc1NC(=O)c2cnn(c2C)C
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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Descriptor Annotations

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