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Chemical ID: 7160490

Chemical ID:

7160490

Name [?]:

4-chloro-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide

SMILES [?]:

CCn1c(c(cn1)Cl)C(=O)Nc2cnn(c2C)C

InChi [?]:

InChI=1/C11H14ClN5O/c1-4-17-10(8(12)5-14-17)11(18)15-9-6-13-16(3)7(9)2/h5-6H,4H2,1-3H3,(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,17,18,2,6,13,16,5,12,4,9,8,14,7,11,15,3,10/rA:18nCCNCCCNClCONCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s4;d9;s9;s11;s12;d13;s14;d12s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄ClN₅O
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.33765
Area:	456.061
Solvation:	-3.06387
Coulombic:	-29.3186

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	267.715
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.68
LogP (Chemaxon):	-0.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value