1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole

C15H14N2OS — CID 123818874

IUPAC1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole
SMILESCOc1ccc(Cn2nccc2-c2cccs2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-13-6-4-12(5-7-13)11-17-14(8-9-16-17)15-3-2-10-19-15/h2-10H,11H2,1H3
InChIKeyCZUNXAPEWNUKTO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.67
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole

1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole (PubChem CID 123818874) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole
PubChem CID123818874
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole
SMILESCOc1ccc(Cn2nccc2-c2cccs2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-13-6-4-12(5-7-13)11-17-14(8-9-16-17)15-3-2-10-19-15/h2-10H,11H2,1H3
InChIKeyCZUNXAPEWNUKTO-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

5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
CID 25027782
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 2327975
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-(2-thienyl)ethanamine
CID 16188236
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(thiophen-3-ylmethyl)ethanamine
CID 75382757
1-(5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)ethanone
CID 16276866
5-(4-methoxyphenyl)-2-(methylsulfonyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
CID 16331678
5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide
CID 25027781
4-[5-(2,5-dichloro-3-thienyl)-1H-pyrazol-1-yl]phenyl methyl ether
CID 1477322
1-[5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazole]-2-yl]propan-1-one
CID 16279959
1-(4-Methoxy-benzyl)-3-methyl-1h-pyrazole
CID 21628284
1-(4-Fluoro-2-methoxyphenyl)-4-[2-(1-methyl-5-thiophen-2-ylpyrazol-4-yl)ethyl]piperazine
CID 44214291
1-[2-(4-Methoxyphenyl)ethyl]-5-methylpyrazole
CID 381041

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole (CID 123818874) is 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole is COc1ccc(Cn2nccc2-c2cccs2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole?
The InChIKey is CZUNXAPEWNUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-13-6-4-12(5-7-13)11-17-14(8-9-16-17)15-3-2-10-19-15/h2-10H,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazole?
1-[(4-methoxyphenyl)methyl]-5-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]-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 123818874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).