Chemical ID: 7175040

CCn1cc(c(n1)C(=O)OC(C)C)NC(=O)c2ccnn2C(F)F
Chemical ID:
7175040
Name [?]:
isopropyl 4-[2-(difluoromethyl)pyrazol-3-yl]carbonylamino-1-ethyl-pyrazole-3-carboxylate
SMILES [?]:
CCn1cc(c(n1)C(=O)OC(C)C)NC(=O)c2ccnn2C(F)F
InChi [?]:
InChI=1/C14H17F2N5O3/c1-4-20-7-9(11(19-20)13(23)24-8(2)3)18-12(22)10-5-6-17-21(10)14(15)16/h5-8,14H,4H2,1-3H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,12,13,2,18,19,4,11,5,17,6,15,8,22,23,24,20,14,7,3,21,16,9,10/E:(2,3)(15,16)/rA:24nCCNCCCNCOOCCCNCOCCCNNCFF/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s10;s11;s11;s5;s14;d15;s15;d17;s18;d19;s17s20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17F2N5O3
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.27856
Area:536.149
Solvation:-5.12517
Coulombic:-60.9307
Bond Count [?]
All:25
Single:19
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.313
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.78
LogP (Chemaxon):1.96

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