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

C17H19FN2O2 — CID 82591421

IUPAC2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C17H19FN2O2/c1-11-17-13(9-16(21)22)3-2-4-15(17)20(19-11)10-12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyAYBGNNHNKGFQJW-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.27
Rot. Bonds4

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

2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591421) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591421
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C17H19FN2O2/c1-11-17-13(9-16(21)22)3-2-4-15(17)20(19-11)10-12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyAYBGNNHNKGFQJW-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591287
2-(1-benzyl-3-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591381
2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591417
3-[4-(2-aminoethyl)-3-methyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592776
2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592784
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpyrrolidin-3-yl)ethanone
CID 130214516
2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid
CID 130214591
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372514
2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591522
4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 82592437

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591421) is 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is Cc1nn(Cc2ccc(F)cc2)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is AYBGNNHNKGFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11-17-13(9-16(21)22)3-2-4-15(17)20(19-11)10-12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 302.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).