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Chemical ID: 7211716
Chemical ID:
7211716
Name [?]:
N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N,2-dimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2ccnn2C)C
InChi [?]:
InChI=1/C14H21N5O/c1-6-19-11(3)12(10(2)16-19)9-17(4)14(20)13-7-8-15-18(13)5/h7-8H,6,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,20,11,19,2,15,16,9,6,4,5,14,12,17,7,10,18,3,13/rA:20nCCNCCCNCCNCCOCCCNNCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N5O |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77512 |
Area: | 459.405 |
Solvation: | -3.71002 |
Coulombic: | -23.7449 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.16 |
LogP (Chemaxon): | -0.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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