[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol

C16H16N2O2S — CID 66709516

IUPAC[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
SMILESCOc1ccc(Cn2nc(CO)cc2-c2cccs2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-6-4-12(5-7-14)10-18-15(9-13(11-19)17-18)16-3-2-8-21-16/h2-9,19H,10-11H2,1H3
InChIKeyMQPGDJJBYAXEJY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.16
Rot. Bonds5

About [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol

[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol (PubChem CID 66709516) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
PubChem CID66709516
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
SMILESCOc1ccc(Cn2nc(CO)cc2-c2cccs2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-6-4-12(5-7-14)10-18-15(9-13(11-19)17-18)16-3-2-8-21-16/h2-9,19H,10-11H2,1H3
InChIKeyMQPGDJJBYAXEJY-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
CID 70375481
[5-[3-(hydroxymethyl)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]methylphosphonic acid
CID 155254192
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
2-[(4-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799144
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
CID 9325351
3-[3-(bromomethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzonitrile
CID 169006656
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
2-(3-chlorophenyl)-3-[5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanoic acid
CID 59984388

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol (CID 66709516) is [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol is COc1ccc(Cn2nc(CO)cc2-c2cccs2)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol?
The InChIKey is MQPGDJJBYAXEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-6-4-12(5-7-14)10-18-15(9-13(11-19)17-18)16-3-2-8-21-16/h2-9,19H,10-11H2,1H3.
What are the key properties of [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol?
[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol has a molecular weight of 300.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 66709516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).