2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate

C13H12F2N2O2 — CID 146107282

IUPAC2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate
SMILESO=C(OCCC1CC1(F)F)c1cccc2cn[nH]c12
InChIInChI=1S/C13H12F2N2O2/c14-13(15)6-9(13)4-5-19-12(18)10-3-1-2-8-7-16-17-11(8)10/h1-3,7,9H,4-6H2,(H,16,17)
InChIKeyQOKGOGWERNREOP-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.77
Rot. Bonds4

About 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate

2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate (PubChem CID 146107282) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate
PubChem CID146107282
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate
SMILESO=C(OCCC1CC1(F)F)c1cccc2cn[nH]c12
InChIInChI=1S/C13H12F2N2O2/c14-13(15)6-9(13)4-5-19-12(18)10-3-1-2-8-7-16-17-11(8)10/h1-3,7,9H,4-6H2,(H,16,17)
InChIKeyQOKGOGWERNREOP-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate
CID 175827950
(4-cyanooxan-4-yl)methyl 1H-indazole-7-carboxylate
CID 84599589
2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
CID 167926705
N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide
CID 126775330
1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 162334687
[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 119468138
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
N-(6-methylspiro[3.3]heptan-2-yl)-1H-indazole-7-carboxamide
CID 170258466
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-7-carboxamide
CID 71879940
[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate
CID 97352989
(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
CID 32773251
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 124690233

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate?
The IUPAC name of 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate (CID 146107282) is 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate is O=C(OCCC1CC1(F)F)c1cccc2cn[nH]c12.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate?
The InChIKey is QOKGOGWERNREOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-13(15)6-9(13)4-5-19-12(18)10-3-1-2-8-7-16-17-11(8)10/h1-3,7,9H,4-6H2,(H,16,17).
What are the key properties of 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate?
2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate is sourced from PubChem (CID 146107282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).