2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

C18H21FN2O2 — CID 82591417

IUPAC2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccccc2F)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C18H21FN2O2/c1-2-15-18-12(10-17(22)23)7-5-9-16(18)21(20-15)11-13-6-3-4-8-14(13)19/h3-4,6,8,12H,2,5,7,9-11H2,1H3,(H,22,23)
InChIKeyKVEOIEAUBALBSX-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.53
Rot. Bonds5

About 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591417) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591417
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccccc2F)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C18H21FN2O2/c1-2-15-18-12(10-17(22)23)7-5-9-16(18)21(20-15)11-13-6-3-4-8-14(13)19/h3-4,6,8,12H,2,5,7,9-11H2,1H3,(H,22,23)
InChIKeyKVEOIEAUBALBSX-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592784
2-[3-ethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591399
2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591421
2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591582
3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592828
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide
CID 90012848
2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
CID 84741842
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587621
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591417) is 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is CCc1nn(Cc2ccccc2F)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is KVEOIEAUBALBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-15-18-12(10-17(22)23)7-5-9-16(18)21(20-15)11-13-6-3-4-8-14(13)19/h3-4,6,8,12H,2,5,7,9-11H2,1H3,(H,22,23).
What are the key properties of 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).