8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid

C17H18N2O2 — CID 58406961

IUPAC8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESCC(C)n1cc(C2=CCCc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C17H18N2O2/c1-11(2)19-10-14(9-18-19)15-5-3-4-12-6-7-13(17(20)21)8-16(12)15/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyMMGLUTQIOUTFNT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.54
Rot. Bonds3

About 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid

8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid (PubChem CID 58406961) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid
PubChem CID58406961
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESCC(C)n1cc(C2=CCCc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C17H18N2O2/c1-11(2)19-10-14(9-18-19)15-5-3-4-12-6-7-13(17(20)21)8-16(12)15/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyMMGLUTQIOUTFNT-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid (CID 58406961) is 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid is CC(C)n1cc(C2=CCCc3ccc(C(=O)O)cc32)cn1.
What is the InChIKey of 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid?
The InChIKey is MMGLUTQIOUTFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11(2)19-10-14(9-18-19)15-5-3-4-12-6-7-13(17(20)21)8-16(12)15/h5-11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid?
8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58406961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).