Chemical ID: 3987400

CCCc1c(c(nn1c2ccccc2C(F)(F)F)CC(C)C)C(=O)O
Chemical ID:
3987400
Name [?]:
3-isobutyl-5-propyl-1-[2-(trifluoromethyl)phenyl]-pyrazole-4-carboxylic acid
SMILES [?]:
CCCc1c(c(nn1c2ccccc2C(F)(F)F)CC(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21F3N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.8215
Area:512.115
Solvation:-2.98136
Coulombic:-51.8633
Bond Count [?]
All:26
Single:20
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.367
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.15
LogP (Chemaxon):4.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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