(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol

C9H9ClN2OS — CID 63960723

IUPAC(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5,9,13H,1H3
InChIKeyLZSOGXQBHVDIIG-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.22
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol

(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 63960723) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
PubChem CID63960723
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5,9,13H,1H3
InChIKeyLZSOGXQBHVDIIG-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (CID 63960723) is (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is LZSOGXQBHVDIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5,9,13H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 228.70 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 63960723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).