1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole

C23H22N2OS — CID 141063816

IUPAC1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole
SMILESC/C=C/c1scc(Cn2cccn2)c1OCCc1ccc2ccccc2c1
InChIInChI=1S/C23H22N2OS/c1-2-6-22-23(21(17-27-22)16-25-13-5-12-24-25)26-14-11-18-9-10-19-7-3-4-8-20(19)15-18/h2-10,12-13,15,17H,11,14,16H2,1H3/b6-2+
InChIKeyMOFDRDHWVDRADN-QHHAFSJGSA-N
MW374.51 g/mol
LogP5.80
Rot. Bonds7

About 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole

1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole (PubChem CID 141063816) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole
PubChem CID141063816
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole
SMILESC/C=C/c1scc(Cn2cccn2)c1OCCc1ccc2ccccc2c1
InChIInChI=1S/C23H22N2OS/c1-2-6-22-23(21(17-27-22)16-25-13-5-12-24-25)26-14-11-18-9-10-19-7-3-4-8-20(19)15-18/h2-10,12-13,15,17H,11,14,16H2,1H3/b6-2+
InChIKeyMOFDRDHWVDRADN-QHHAFSJGSA-N
XLogP5.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole?
The IUPAC name of 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole (CID 141063816) is 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole.
What is the SMILES notation for 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole?
The canonical SMILES for 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole is C/C=C/c1scc(Cn2cccn2)c1OCCc1ccc2ccccc2c1.
What is the InChIKey of 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole?
The InChIKey is MOFDRDHWVDRADN-QHHAFSJGSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-2-6-22-23(21(17-27-22)16-25-13-5-12-24-25)26-14-11-18-9-10-19-7-3-4-8-20(19)15-18/h2-10,12-13,15,17H,11,14,16H2,1H3/b6-2+.
What are the key properties of 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole?
1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole has a molecular weight of 374.51 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-naphthalen-2-ylethoxy)-5-[(E)-prop-1-enyl]thiophen-3-yl]methyl]pyrazole is sourced from PubChem (CID 141063816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).