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

C14H12N2OS — CID 740214

IUPAC(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H12N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-9,17H,10H2
InChIKeyVXPKOZBAZPODMY-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.09
Rot. Bonds3

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

(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol (PubChem CID 740214) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol
PubChem CID740214
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H12N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-9,17H,10H2
InChIKeyVXPKOZBAZPODMY-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol (CID 740214) is (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol is OCc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The InChIKey is VXPKOZBAZPODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-9,17H,10H2.
What are the key properties of (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol has a molecular weight of 256.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 740214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).