1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole

C16H18N4O2 — CID 15302457

IUPAC1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole
SMILESc1ccc(COCn2cccn2)c(COCn2cccn2)c1
InChIInChI=1S/C16H18N4O2/c1-2-6-16(12-22-14-20-10-4-8-18-20)15(5-1)11-21-13-19-9-3-7-17-19/h1-10H,11-14H2
InChIKeyAGDCYZWLKXOLFU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.43
Rot. Bonds8

About 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole

1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole (PubChem CID 15302457) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole.

Molecular Properties

Compound Name1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole
PubChem CID15302457
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole
SMILESc1ccc(COCn2cccn2)c(COCn2cccn2)c1
InChIInChI=1S/C16H18N4O2/c1-2-6-16(12-22-14-20-10-4-8-18-20)15(5-1)11-21-13-19-9-3-7-17-19/h1-10H,11-14H2
InChIKeyAGDCYZWLKXOLFU-UHFFFAOYSA-N
XLogP2.43
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 68474587

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole?
The IUPAC name of 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole (CID 15302457) is 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole.
What is the SMILES notation for 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole?
The canonical SMILES for 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole is c1ccc(COCn2cccn2)c(COCn2cccn2)c1.
What is the InChIKey of 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole?
The InChIKey is AGDCYZWLKXOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-6-16(12-22-14-20-10-4-8-18-20)15(5-1)11-21-13-19-9-3-7-17-19/h1-10H,11-14H2.
What are the key properties of 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole?
1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole has a molecular weight of 298.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(pyrazol-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrazole is sourced from PubChem (CID 15302457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).