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

C17H20N2O2 — CID 62740609

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCCn1cc(CC2(C(=O)O)CCCc3ccccc32)cn1
InChIInChI=1S/C17H20N2O2/c1-2-19-12-13(11-18-19)10-17(16(20)21)9-5-7-14-6-3-4-8-15(14)17/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,20,21)
InChIKeyVOLYFHQTSLMLOK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds4

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

1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 62740609) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID62740609
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCCn1cc(CC2(C(=O)O)CCCc3ccccc32)cn1
InChIInChI=1S/C17H20N2O2/c1-2-19-12-13(11-18-19)10-17(16(20)21)9-5-7-14-6-3-4-8-15(14)17/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,20,21)
InChIKeyVOLYFHQTSLMLOK-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 62740609) is 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is CCn1cc(CC2(C(=O)O)CCCc3ccccc32)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is VOLYFHQTSLMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19-12-13(11-18-19)10-17(16(20)21)9-5-7-14-6-3-4-8-15(14)17/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,20,21).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 62740609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).