1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol

C11H14N2OS — CID 103130169

IUPAC1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1ccn(C)n1
InChIInChI=1S/C11H14N2OS/c1-8-5-7-15-10(8)11(2,14)9-4-6-13(3)12-9/h4-7,14H,1-3H3
InChIKeySVHNAOIDZFLRLP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.05
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol

1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 103130169) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID103130169
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1ccn(C)n1
InChIInChI=1S/C11H14N2OS/c1-8-5-7-15-10(8)11(2,14)9-4-6-13(3)12-9/h4-7,14H,1-3H3
InChIKeySVHNAOIDZFLRLP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol (CID 103130169) is 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(C)(O)c1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is SVHNAOIDZFLRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-5-7-15-10(8)11(2,14)9-4-6-13(3)12-9/h4-7,14H,1-3H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol?
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 222.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 103130169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).