1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone

C25H24N2O2 — CID 142213877

IUPAC1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone
SMILESCCCc1ccc(Cn2cccn2)cc1OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H24N2O2/c1-2-6-21-10-9-19(17-27-14-5-13-26-27)15-25(21)29-18-24(28)23-12-11-20-7-3-4-8-22(20)16-23/h3-5,7-16H,2,6,17-18H2,1H3
InChIKeyPAHSCDDPTXXMNE-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.30
Rot. Bonds8

About 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone

1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone (PubChem CID 142213877) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone
PubChem CID142213877
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone
SMILESCCCc1ccc(Cn2cccn2)cc1OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H24N2O2/c1-2-6-21-10-9-19(17-27-14-5-13-26-27)15-25(21)29-18-24(28)23-12-11-20-7-3-4-8-22(20)16-23/h3-5,7-16H,2,6,17-18H2,1H3
InChIKeyPAHSCDDPTXXMNE-UHFFFAOYSA-N
XLogP5.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone?
The IUPAC name of 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone (CID 142213877) is 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone.
What is the SMILES notation for 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone?
The canonical SMILES for 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone is CCCc1ccc(Cn2cccn2)cc1OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone?
The InChIKey is PAHSCDDPTXXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-6-21-10-9-19(17-27-14-5-13-26-27)15-25(21)29-18-24(28)23-12-11-20-7-3-4-8-22(20)16-23/h3-5,7-16H,2,6,17-18H2,1H3.
What are the key properties of 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone?
1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone has a molecular weight of 384.48 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone is sourced from PubChem (CID 142213877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).