Chemical ID: 7150464

CCC(c1ccc(cc1)C(C)C)NC(=O)c2cc(nn2C)C
Chemical ID:
7150464
Name [?]:
N-[1-(4-isopropylphenyl)propyl]-2,5-dimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(c1ccc(cc1)C(C)C)NC(=O)c2cc(nn2C)C
InChi [?]:
InChI=1/C18H25N3O/c1-6-16(15-9-7-14(8-10-15)12(2)3)19-18(22)17-11-13(4)20-21(17)5/h7-12,16H,6H2,1-5H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,11,12,22,21,2,6,8,5,9,17,10,18,7,4,3,16,14,13,19,20,15/E:(2,3)(7,8)(9,10)/rA:22cCCCCCCCCCCCCNCOCCCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s3;s13;d14;s14;d16;s17;d18;s16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3O
All Atoms:47
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.7114
Area:529.008
Solvation:-2.51384
Coulombic:-28.1911
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.411
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.16
LogP (Chemaxon):3.01

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Descriptor Annotations

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