2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C16H18N2O2 — CID 82871964

IUPAC2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCn1ccc(CC2(C(=O)O)CCc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O2/c1-18-9-7-14(17-18)11-16(15(19)20)8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10-11H2,1H3,(H,19,20)
InChIKeyUHWHQAJXGQYOBJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.22
Rot. Bonds3

About 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 82871964) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID82871964
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCn1ccc(CC2(C(=O)O)CCc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O2/c1-18-9-7-14(17-18)11-16(15(19)20)8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10-11H2,1H3,(H,19,20)
InChIKeyUHWHQAJXGQYOBJ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 82871964) is 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is Cn1ccc(CC2(C(=O)O)CCc3ccccc3C2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is UHWHQAJXGQYOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-9-7-14(17-18)11-16(15(19)20)8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 82871964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).