Chemical ID: 7175883

CCn1cc(cn1)Cn2cc(cn2)NC(=O)CCn3c(c(cn3)Br)C
Chemical ID:
7175883
Name [?]:
3-(4-bromo-5-methyl-pyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-propanamide
SMILES [?]:
CCn1cc(cn1)Cn2cc(cn2)NC(=O)CCn3c(c(cn3)Br)C
InChi [?]:
InChI=1/C16H20BrN7O/c1-3-22-9-13(6-18-22)10-23-11-14(7-19-23)21-16(25)4-5-24-12(2)15(17)8-20-24/h6-9,11H,3-5,10H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,25,2,17,18,6,12,22,4,8,10,20,5,11,21,15,24,7,13,23,14,3,9,19,16/rA:25nCCNCCCNCNCCCNNCOCCNCCCNBrC/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;d10;s11;s9d12;s11;s14;d15;s15;s17;s18;s19;d20;s21;s19d22;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20BrN7O
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0124
Area:599.472
Solvation:-4.9744
Coulombic:-29.3292
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.281
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):1.06

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