1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole

C25H26N2O — CID 142213921

IUPAC1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole
SMILESCCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C25H26N2O/c1-2-6-23-12-10-21(19-27-15-5-14-26-27)18-25(23)28-16-13-20-9-11-22-7-3-4-8-24(22)17-20/h3-5,7-12,14-15,17-18H,2,6,13,16,19H2,1H3
InChIKeyXEGIRLLBNMOYQX-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.66
Rot. Bonds8

About 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole

1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole (PubChem CID 142213921) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole
PubChem CID142213921
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole
SMILESCCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C25H26N2O/c1-2-6-23-12-10-21(19-27-15-5-14-26-27)18-25(23)28-16-13-20-9-11-22-7-3-4-8-24(22)17-20/h3-5,7-12,14-15,17-18H,2,6,13,16,19H2,1H3
InChIKeyXEGIRLLBNMOYQX-UHFFFAOYSA-N
XLogP5.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-2-[2-propyl-5-(pyrazol-1-ylmethyl)phenoxy]ethanone
CID 142213877
N-(5-bromo-2-methoxyphenyl)sulfinyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 142214191
3-[2-propoxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 174458821
N-(3,4-difluorophenyl)sulfonyl-5-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 23017358
1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole
CID 141063816
3-[2-[2-(N-methylanilino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanenitrile
CID 142213900
3-[2-[2-(N-ethylanilino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 23017509
4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene
CID 142214031
3-[2-[5-(3-methylphenyl)pentoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 174471606
3-[4-(morpholin-4-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 23017744
(E)-3-[4-(2-naphthalen-2-ylethoxy)-5-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
CID 10135862
3-[2-[2-(4-phenylpiperidin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
CID 23017056

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole?
The IUPAC name of 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole (CID 142213921) is 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole?
The canonical SMILES for 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole is CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1.
What is the InChIKey of 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole?
The InChIKey is XEGIRLLBNMOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-6-23-12-10-21(19-27-15-5-14-26-27)18-25(23)28-16-13-20-9-11-22-7-3-4-8-24(22)17-20/h3-5,7-12,14-15,17-18H,2,6,13,16,19H2,1H3.
What are the key properties of 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole?
1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole has a molecular weight of 370.50 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole is sourced from PubChem (CID 142213921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).