2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid

C16H18N2O2 — CID 82488178

IUPAC2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(-c2ccc3c(c2)CCCC3)c1CC(=O)O
InChIInChI=1S/C16H18N2O2/c1-10-14(9-15(19)20)16(18-17-10)13-7-6-11-4-2-3-5-12(11)8-13/h6-8H,2-5,9H2,1H3,(H,17,18)(H,19,20)
InChIKeySDRFHKVDBRIXOZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid

2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82488178) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82488178
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(-c2ccc3c(c2)CCCC3)c1CC(=O)O
InChIInChI=1S/C16H18N2O2/c1-10-14(9-15(19)20)16(18-17-10)13-7-6-11-4-2-3-5-12(11)8-13/h6-8H,2-5,9H2,1H3,(H,17,18)(H,19,20)
InChIKeySDRFHKVDBRIXOZ-UHFFFAOYSA-N
XLogP2.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
CID 82305106
2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82488578
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82123787
[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83850139
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-3-yl]acetic acid
CID 84610283
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 82167208
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid (CID 82488178) is 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid is Cc1[nH]nc(-c2ccc3c(c2)CCCC3)c1CC(=O)O.
What is the InChIKey of 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is SDRFHKVDBRIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-14(9-15(19)20)16(18-17-10)13-7-6-11-4-2-3-5-12(11)8-13/h6-8H,2-5,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid?
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82488178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).