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Chemical ID: 4953678

Chemical ID:

4953678

Name [?]:

5-amino-1-(4-chlorophenyl)-pyrazole-4-carboxamide

SMILES [?]:

c1cc(ccc1n2c(c(cn2)C(=O)N)N)Cl

InChi [?]:

InChI=1/C10H9ClN4O/c11-6-1-3-7(4-2-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16)

InChi Info:

AuxInfo=1/1/N:2,4,1,5,10,3,6,9,8,12,16,15,14,11,7,13/E:(1,2)(3,4)/rA:16nCCCCCCNCCCNCONNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;d12;s12;s8;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₉ClN₄O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.5156
Area:	402.595
Solvation:	-2.54928
Coulombic:	-47.127

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	236.658
H-Bond Donors:	4
H-Bond Acceptors:	3
XLogP:	1.69
LogP (Chemaxon):	0.98

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value