Chemical ID: 7211716

CCn1c(c(c(n1)C)CN(C)C(=O)c2ccnn2C)C
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

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Descriptor Annotations

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