2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

C19H24N2O2 — CID 82591626

IUPAC2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3CC(=O)O)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)14-7-9-15(10-8-14)21-17-6-4-5-13(11-18(22)23)16(17)12-20-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyQLJYSGJWDLRUJP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.06
Rot. Bonds3

About 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591626) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591626
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3CC(=O)O)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)14-7-9-15(10-8-14)21-17-6-4-5-13(11-18(22)23)16(17)12-20-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyQLJYSGJWDLRUJP-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591812
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxy-2-methylpropanamide
CID 45191398
2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591527
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264
2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 23723477
N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide
CID 42243752
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide
CID 42243753
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanylpropanamide
CID 45207838
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-2-ynamide
CID 45224994
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 45171550
ethyl 2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)acetate;2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
CID 159074400
[5-[[[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-yl]methanol
CID 26333155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591626) is 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is CC(C)(C)c1ccc(-n2ncc3c2CCCC3CC(=O)O)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is QLJYSGJWDLRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)14-7-9-15(10-8-14)21-17-6-4-5-13(11-18(22)23)16(17)12-20-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23).
What are the key properties of 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).