1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C15H14F2N2O2 — CID 61296065

IUPAC1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCC1CCc2c(c(C(=O)O)nn2-c2cccc(F)c2F)C1
InChIInChI=1S/C15H14F2N2O2/c1-8-5-6-11-9(7-8)14(15(20)21)18-19(11)12-4-2-3-10(16)13(12)17/h2-4,8H,5-7H2,1H3,(H,20,21)
InChIKeyKWKUAOXXSNRYOP-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.97
Rot. Bonds2

About 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 61296065) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID61296065
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCC1CCc2c(c(C(=O)O)nn2-c2cccc(F)c2F)C1
InChIInChI=1S/C15H14F2N2O2/c1-8-5-6-11-9(7-8)14(15(20)21)18-19(11)12-4-2-3-10(16)13(12)17/h2-4,8H,5-7H2,1H3,(H,20,21)
InChIKeyKWKUAOXXSNRYOP-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61295867
1-(2,4-dichlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61298268
1-(4-fluoro-3-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812686
1-(3-fluoro-5-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 79044658
1-(2-chloro-4-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61295866
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 107463828
5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61295669
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 122107230
2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 122107432
1-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 122109451
1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61296804
1-(2,3-difluorophenyl)-5-ethyltriazole-4-carboxylic acid
CID 61074868

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 61296065) is 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CC1CCc2c(c(C(=O)O)nn2-c2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is KWKUAOXXSNRYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-8-5-6-11-9(7-8)14(15(20)21)18-19(11)12-4-2-3-10(16)13(12)17/h2-4,8H,5-7H2,1H3,(H,20,21).
What are the key properties of 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 292.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 61296065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).