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

C15H15BrN2O2 — CID 116858236

IUPAC4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(Br)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15BrN2O2/c1-18-14(12(16)13(17-18)15(19)20)11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H,19,20)
InChIKeyAMVZHLWDYRYBQI-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.43
Rot. Bonds2

About 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid

4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid (PubChem CID 116858236) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid
PubChem CID116858236
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(Br)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15BrN2O2/c1-18-14(12(16)13(17-18)15(19)20)11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H,19,20)
InChIKeyAMVZHLWDYRYBQI-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-3-yl]acetic acid
CID 84610283
5-(2,3-dihydro-1H-inden-5-yl)-3-ethanehydrazonoyl-1-methylpyrazol-4-ol;1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1-methylpyrazol-3-yl]ethanone
CID 159735656
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444
1-[[(E)-1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid
CID 173464946
4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336572
1-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazol-3-yl]-N-methylmethanamine
CID 84604321
4-bromo-1-methyl-5-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 116858289
4-bromo-1-methyl-5-(2-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136967005
5-(3,4-dihydro-1H-isochromen-6-yl)-2-methyltriazole-4-carboxylic acid
CID 167931978
[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
CID 84604334

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid (CID 116858236) is 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid is Cn1nc(C(=O)O)c(Br)c1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is AMVZHLWDYRYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18-14(12(16)13(17-18)15(19)20)11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid?
4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 116858236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).