Chemical ID: 6480796

CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
Chemical ID:
6480796
Name [?]:
N-ethyl-3-phenyl-4-pyrimidin-4-yl-pyrazole-1-carboxamide
SMILES [?]:
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
InChi [?]:
InChI=1/C16H15N5O/c1-2-18-16(22)21-10-13(14-8-9-17-11-19-14)15(20-21)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,18,19,7,21,11,8,17,9,4,20,3,22,10,6,5/E:(4,5)(6,7)/rA:22nCCNCONCCCNCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s8;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N5O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.63849
Area:492.638
Solvation:-2.67747
Coulombic:-40.4152
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:293.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.93
LogP (Chemaxon):2.25

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Descriptor Annotations

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