(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol

C11H14N2OS — CID 63901158

IUPAC(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H14N2OS/c1-7-4-10(8(2)15-7)11(14)9-5-12-13(3)6-9/h4-6,11,14H,1-3H3
InChIKeySRJKPBGTDGIIPK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol

(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 63901158) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID63901158
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H14N2OS/c1-7-4-10(8(2)15-7)11(14)9-5-12-13(3)6-9/h4-6,11,14H,1-3H3
InChIKeySRJKPBGTDGIIPK-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634
(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
CID 107947298
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868
(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methanol
CID 66116496
(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 112749020
(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
CID 65453801
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 114981729

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol (CID 63901158) is (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol is Cc1cc(C(O)c2cnn(C)c2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is SRJKPBGTDGIIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-4-10(8(2)15-7)11(14)9-5-12-13(3)6-9/h4-6,11,14H,1-3H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol?
(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 222.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 63901158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).