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Chemical ID: 5898164

c1ccnc(c1)CCNC(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccco4

Chemical ID:

5898164

Name [?]:

2-(4-chlorophenyl)-5-(2-furyl)-N-[2-(2-pyridyl)ethyl]pyrazole-3-carboxamide

SMILES [?]:

c1ccnc(c1)CCNC(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccco4

InChi [?]:

InChI=1/C21H17ClN4O2/c22-15-6-8-17(9-7-15)26-19(14-18(25-26)20-5-3-13-28-20)21(27)24-12-10-16-4-1-2-11-23-16/h1-9,11,13-14H,10,12H2,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,2,26,6,25,19,21,18,22,7,3,8,27,13,20,5,17,14,12,24,10,23,4,9,15,16,11,28/E:(6,7)(8,9)/rA:28nCCCNCCCCNCOCCCNNCCCCCCClCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s20;s14;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇ClN₄O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8979
Area:	631.652
Solvation:	-3.89341
Coulombic:	-40.5754

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	392.838
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.47
LogP (Chemaxon):	3.01

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value