2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde

C16H14N2O2 — CID 43417346

IUPAC2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCn1cc(COc2ccc3ccccc3c2C=O)cn1
InChIInChI=1S/C16H14N2O2/c1-18-9-12(8-17-18)11-20-16-7-6-13-4-2-3-5-14(13)15(16)10-19/h2-10H,11H2,1H3
InChIKeyWBCWRCOXMSUGLS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.96
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde

2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 43417346) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
PubChem CID43417346
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCn1cc(COc2ccc3ccccc3c2C=O)cn1
InChIInChI=1S/C16H14N2O2/c1-18-9-12(8-17-18)11-20-16-7-6-13-4-2-3-5-14(13)15(16)10-19/h2-10H,11H2,1H3
InChIKeyWBCWRCOXMSUGLS-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde (CID 43417346) is 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde is Cn1cc(COc2ccc3ccccc3c2C=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is WBCWRCOXMSUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-9-12(8-17-18)11-20-16-7-6-13-4-2-3-5-14(13)15(16)10-19/h2-10H,11H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde?
2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 43417346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).