(2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol

C15H14N2OS — CID 102842565

IUPAC(2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
SMILESCc1sccc1C(O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14N2OS/c1-11-13(8-10-19-11)15(18)14-7-9-17(16-14)12-5-3-2-4-6-12/h2-10,15,18H,1H3
InChIKeyVSMPMCLEVQCSRD-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.32
Rot. Bonds3

About (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol

(2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol (PubChem CID 102842565) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
PubChem CID102842565
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
SMILESCc1sccc1C(O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14N2OS/c1-11-13(8-10-19-11)15(18)14-7-9-17(16-14)12-5-3-2-4-6-12/h2-10,15,18H,1H3
InChIKeyVSMPMCLEVQCSRD-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol (CID 102842565) is (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol is Cc1sccc1C(O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
The InChIKey is VSMPMCLEVQCSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-13(8-10-19-11)15(18)14-7-9-17(16-14)12-5-3-2-4-6-12/h2-10,15,18H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
(2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol has a molecular weight of 270.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 102842565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).