(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol

C10H12N2O2S — CID 114981729

IUPAC(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCOc1csc(C(O)c2cnn(C)c2)c1
InChIInChI=1S/C10H12N2O2S/c1-12-5-7(4-11-12)10(13)9-3-8(14-2)6-15-9/h3-6,10,13H,1-2H3
InChIKeySMTPZLYRCUUPAQ-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.57
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol

(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 114981729) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID114981729
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCOc1csc(C(O)c2cnn(C)c2)c1
InChIInChI=1S/C10H12N2O2S/c1-12-5-7(4-11-12)10(13)9-3-8(14-2)6-15-9/h3-6,10,13H,1-2H3
InChIKeySMTPZLYRCUUPAQ-UHFFFAOYSA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 112749020
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
[1-(4-methoxythiophen-2-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025585
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
CID 115839360
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(6-methoxy-3-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 114937913
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methanol
CID 66116496

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (CID 114981729) is (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is COc1csc(C(O)c2cnn(C)c2)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is SMTPZLYRCUUPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-12-5-7(4-11-12)10(13)9-3-8(14-2)6-15-9/h3-6,10,13H,1-2H3.
What are the key properties of (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 224.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114981729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).