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Chemical ID: 7216099
Chemical ID:
7216099
Name [?]:
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(cn1)C(=O)Nc2cnn(c2C)C
InChi [?]:
InChI=1/C11H15N5O/c1-4-16-7-9(5-13-16)11(17)14-10-6-12-15(3)8(10)2/h5-7H,4H2,1-3H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,6,12,4,15,5,11,8,13,7,10,14,3,9/rA:17nCCNCCCNCONCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s10;s11;d12;s13;d11s14;s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N5O |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.29721 |
Area: | 430.94 |
Solvation: | -3.47628 |
Coulombic: | -27.1928 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.05 |
LogP (Chemaxon): | -0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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