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Chemical ID: 7160490
Chemical ID:
7160490
Name [?]:
4-chloro-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)Cl)C(=O)Nc2cnn(c2C)C
InChi [?]:
InChI=1/C11H14ClN5O/c1-4-17-10(8(12)5-14-17)11(18)15-9-6-13-16(3)7(9)2/h5-6H,4H2,1-3H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,6,13,16,5,12,4,9,8,14,7,11,15,3,10/rA:18nCCNCCCNClCONCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s4;d9;s9;s11;s12;d13;s14;d12s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN5O |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33765 |
Area: | 456.061 |
Solvation: | -3.06387 |
Coulombic: | -29.3186 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.715 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.68 |
LogP (Chemaxon): | -0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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