Chemical ID: 7155178

CCn1cc(cn1)CN(C)C(=O)c2c(c(n(n2)C)C)Cl
Chemical ID:
7155178
Name [?]:
4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(cn1)CN(C)C(=O)c2c(c(n(n2)C)C)Cl
InChi [?]:
InChI=1/C13H18ClN5O/c1-5-19-8-10(6-15-19)7-17(3)13(20)12-11(14)9(2)18(4)16-12/h6,8H,5,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,10,18,2,6,8,4,15,5,14,13,11,20,7,17,9,16,3,12/rA:20nCCNCCCNCNCCOCCCNNCCCl/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;s9;d11;s11;s13;d14;s15;d13s16;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18ClN5O
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.84118
Area:474.688
Solvation:-3.02602
Coulombic:-25.8719
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.768
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.46
LogP (Chemaxon):0.79

Name Annotations

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Descriptor Annotations

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