Chemical ID: 6636520

Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)C(C)N(C)C
Chemical ID:
6636520
Name [?]:
2-dimethylamino-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-propanamide
SMILES [?]:
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)C(C)N(C)C
InChi [?]:
InChI=1/C16H22N4O2/c1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,19,21,22,8,12,11,13,10,14,2,18,9,3,16,4,15,20,7,6,17,5/E:(3,4)(7,8)(9,10)/rA:22cCCCCONNCCCCCCCNCOCCNCC/rB:s1;d2;s3;d4;s4;s2s6;s7;s6;s9;d10;s11;d12;d9s13;s3;s15;d16;s16;s18;s18;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.26986
Area:502.614
Solvation:-4.29548
Coulombic:-43.0256
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.372
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):0.68

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