2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

C18H22N2O2 — CID 82591522

IUPAC2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCC(C)c1nn(-c2ccccc2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C18H22N2O2/c1-12(2)18-17-13(11-16(21)22)7-6-10-15(17)20(19-18)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyKLZLJLLVCFGFAW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.89
Rot. Bonds4

About 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (PubChem CID 82591522) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
PubChem CID82591522
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCC(C)c1nn(-c2ccccc2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C18H22N2O2/c1-12(2)18-17-13(11-16(21)22)7-6-10-15(17)20(19-18)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyKLZLJLLVCFGFAW-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591582
2-(4-amino-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)benzoic acid
CID 82592592
4-(cyanomethyl)-1-phenyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 82591742
2-[1-(3-fluorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591962
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
2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591626
2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591287
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
2-(1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)acetic acid
CID 82395342
2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591421
2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzotriazol-4-yl)acetic acid
CID 83891238

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The IUPAC name of 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (CID 82591522) is 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is CC(C)c1nn(-c2ccccc2)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The InChIKey is KLZLJLLVCFGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)18-17-13(11-16(21)22)7-6-10-15(17)20(19-18)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid has a molecular weight of 298.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is sourced from PubChem (CID 82591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).