(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol

C10H12N2OS — CID 121429593

IUPAC(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1[C@@H](O)c1ccnn1C
InChIInChI=1S/C10H12N2OS/c1-7-4-6-14-10(7)9(13)8-3-5-11-12(8)2/h3-6,9,13H,1-2H3/t9-/m0/s1
InChIKeyMNAKXMOJCYLOGE-VIFPVBQESA-N
MW208.29 g/mol
LogP1.87
Rot. Bonds2

About (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol

(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol (PubChem CID 121429593) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
PubChem CID121429593
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1[C@@H](O)c1ccnn1C
InChIInChI=1S/C10H12N2OS/c1-7-4-6-14-10(7)9(13)8-3-5-11-12(8)2/h3-6,9,13H,1-2H3/t9-/m0/s1
InChIKeyMNAKXMOJCYLOGE-VIFPVBQESA-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 (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol (CID 121429593) is (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1[C@@H](O)c1ccnn1C.
What is the InChIKey of (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is MNAKXMOJCYLOGE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-4-6-14-10(7)9(13)8-3-5-11-12(8)2/h3-6,9,13H,1-2H3/t9-/m0/s1.
What are the key properties of (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol?
(S)-(2-methylpyrazol-3-yl)-(3-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 (S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 121429593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).