(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol

C15H14N2OS — CID 25479420

IUPAC(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESOCc1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H14N2OS/c18-11-13-10-17(9-12-5-2-1-3-6-12)16-15(13)14-7-4-8-19-14/h1-8,10,18H,9,11H2
InChIKeyPUCRGGWWNINIRH-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.15
Rot. Bonds4

About (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol

(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol (PubChem CID 25479420) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol
PubChem CID25479420
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESOCc1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H14N2OS/c18-11-13-10-17(9-12-5-2-1-3-6-12)16-15(13)14-7-4-8-19-14/h1-8,10,18H,9,11H2
InChIKeyPUCRGGWWNINIRH-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol (CID 25479420) is (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol is OCc1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The InChIKey is PUCRGGWWNINIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-11-13-10-17(9-12-5-2-1-3-6-12)16-15(13)14-7-4-8-19-14/h1-8,10,18H,9,11H2.
What are the key properties of (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol has a molecular weight of 270.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 25479420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).