2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid

C19H13F5N2O2 — CID 142719623

IUPAC2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nn(C(F)(F)F)c2cccc(Cc3ccc(F)cc3F)c12
InChIInChI=1S/C19H13F5N2O2/c20-11-5-4-9(14(21)7-11)6-10-2-1-3-15-16(10)17(12-8-13(12)18(27)28)25-26(15)19(22,23)24/h1-5,7,12-13H,6,8H2,(H,27,28)
InChIKeyFMNFLLSZHAGGKI-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.57
Rot. Bonds4

About 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid

2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid (PubChem CID 142719623) has the molecular formula C19H13F5N2O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid
PubChem CID142719623
Molecular FormulaC19H13F5N2O2
Molecular Weight396.32 g/mol
Exact Mass396.09
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nn(C(F)(F)F)c2cccc(Cc3ccc(F)cc3F)c12
InChIInChI=1S/C19H13F5N2O2/c20-11-5-4-9(14(21)7-11)6-10-2-1-3-15-16(10)17(12-8-13(12)18(27)28)25-26(15)19(22,23)24/h1-5,7,12-13H,6,8H2,(H,27,28)
InChIKeyFMNFLLSZHAGGKI-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]-2-methylprop-2-enoic acid
CID 142719622
(E)-3-[4-[(2,4-dichlorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]prop-2-enoic acid
CID 142719645
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 102568503
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702124
2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569997
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid (CID 142719623) is 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nn(C(F)(F)F)c2cccc(Cc3ccc(F)cc3F)c12.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid?
The InChIKey is FMNFLLSZHAGGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2/c20-11-5-4-9(14(21)7-11)6-10-2-1-3-15-16(10)17(12-8-13(12)18(27)28)25-26(15)19(22,23)24/h1-5,7,12-13H,6,8H2,(H,27,28).
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid?
2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid has a molecular weight of 396.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142719623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).