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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Related Compounds

1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole
CID 142213921
3-[2-propoxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 174458821
N-(5-bromo-2-methoxyphenyl)sulfinyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 142214191
3-[2-[2-(N-ethylanilino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 23017509
N-(3,4-difluorophenyl)sulfonyl-5-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 23017358
N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 134011377
3-[2-[2-(4-phenylpiperidin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 23017056
3-[2-[5-(3-methylphenyl)pentoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 174471606
4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292470
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266

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).