(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol

C10H12N2OS — CID 61088767

IUPAC(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cnn(C)c2)s1
InChIInChI=1S/C10H12N2OS/c1-7-3-4-9(14-7)10(13)8-5-11-12(2)6-8/h3-6,10,13H,1-2H3
InChIKeyLXWNLUJYAUCYMH-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.87
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol

(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol (PubChem CID 61088767) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol
PubChem CID61088767
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cnn(C)c2)s1
InChIInChI=1S/C10H12N2OS/c1-7-3-4-9(14-7)10(13)8-5-11-12(2)6-8/h3-6,10,13H,1-2H3
InChIKeyLXWNLUJYAUCYMH-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol (CID 61088767) is (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2cnn(C)c2)s1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is LXWNLUJYAUCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-3-4-9(14-7)10(13)8-5-11-12(2)6-8/h3-6,10,13H,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol?
(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 208.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 61088767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).