3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid

C15H16N2O2 — CID 117394175

IUPAC3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCC1CCCc2ccc(-c3cc(C(=O)O)[nH]n3)cc21
InChIInChI=1S/C15H16N2O2/c1-9-3-2-4-10-5-6-11(7-12(9)10)13-8-14(15(18)19)17-16-13/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyZFRXUCLFBAMIRZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.21
Rot. Bonds2

About 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid

3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117394175) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117394175
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCC1CCCc2ccc(-c3cc(C(=O)O)[nH]n3)cc21
InChIInChI=1S/C15H16N2O2/c1-9-3-2-4-10-5-6-11(7-12(9)10)13-8-14(15(18)19)17-16-13/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyZFRXUCLFBAMIRZ-UHFFFAOYSA-N
XLogP3.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
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3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117431114
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3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
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3-(3-amino-4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
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3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82387523
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
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3-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-pyrazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid (CID 117394175) is 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid is CC1CCCc2ccc(-c3cc(C(=O)O)[nH]n3)cc21.
What is the InChIKey of 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZFRXUCLFBAMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-3-2-4-10-5-6-11(7-12(9)10)13-8-14(15(18)19)17-16-13/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117394175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).