ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7216099

Chemical ID:

7216099

Name [?]:

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-pyrazole-4-carboxamide

SMILES [?]:

CCn1cc(cn1)C(=O)Nc2cnn(c2C)C

InChi [?]:

InChI=1/C11H15N5O/c1-4-16-7-9(5-13-16)11(17)14-10-6-12-15(3)8(10)2/h5-7H,4H2,1-3H3,(H,14,17)

InChi Info:

AuxInfo=1/1/N:1,16,17,2,6,12,4,15,5,11,8,13,7,10,14,3,9/rA:17nCCNCCCNCONCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s10;s11;d12;s13;d11s14;s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅N₅O
All Atoms:	32
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.29721
Area:	430.94
Solvation:	-3.47628
Coulombic:	-27.1928

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	233.27
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.05
LogP (Chemaxon):	-0.64

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