Chemical ID: 7220815

CCn1cc(cn1)C(=O)Nc2cnn(c2C(=O)Nc3cnn(c3C)C)C
Chemical ID:
7220815
Name [?]:
N-(1,5-dimethylpyrazol-4-yl)-4-(1-ethylpyrazol-4-yl)carbonylamino-2-methyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(cn1)C(=O)Nc2cnn(c2C(=O)Nc3cnn(c3C)C)C
InChi [?]:
InChI=1/C16H20N8O2/c1-5-24-9-11(6-19-24)15(25)21-13-8-18-23(4)14(13)16(26)20-12-7-17-22(3)10(12)2/h6-9H,5H2,1-4H3,(H,20,26)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,2,6,20,12,4,23,5,19,11,15,8,16,21,13,7,18,10,22,14,3,9,17/rA:26nCCNCCCNCONCCNNCCONCCNNCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s10;s11;d12;s13;d11s14;s15;d16;s16;s18;s19;d20;s21;d19s22;s23;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N8O2
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.83944
Area:590.908
Solvation:-4.93326
Coulombic:-52.7237
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.383
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.36
LogP (Chemaxon):-1.55

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Descriptor Annotations

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