1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole

C15H14N2OS — CID 70375481

IUPAC1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
SMILESCOc1ccc(Cn2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-13-6-4-12(5-7-13)11-17-9-8-14(16-17)15-3-2-10-19-15/h2-10H,11H2,1H3
InChIKeyXLKFLHALWCUHKN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.67
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole

1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole (PubChem CID 70375481) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
PubChem CID70375481
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
SMILESCOc1ccc(Cn2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-13-6-4-12(5-7-13)11-17-9-8-14(16-17)15-3-2-10-19-15/h2-10H,11H2,1H3
InChIKeyXLKFLHALWCUHKN-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]boronic acid
CID 175477435
[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
CID 66709516
methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211890
2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
CID 9325351
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole
CID 84586031
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55090566
1-[(4-tert-butylphenyl)methyl]-4-thiophen-2-yltriazole
CID 162664075
3-[[4-[(3-thiophen-2-ylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 172844202

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole (CID 70375481) is 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole is COc1ccc(Cn2ccc(-c3cccs3)n2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole?
The InChIKey is XLKFLHALWCUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-13-6-4-12(5-7-13)11-17-9-8-14(16-17)15-3-2-10-19-15/h2-10H,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole?
1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole has a molecular weight of 270.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 70375481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).