1-benzyl-4-thiophen-2-yloxypyrazole

C14H12N2OS — CID 117233985

IUPAC1-benzyl-4-thiophen-2-yloxypyrazole
SMILESc1ccc(Cn2cc(Oc3cccs3)cn2)cc1
InChIInChI=1S/C14H12N2OS/c1-2-5-12(6-3-1)10-16-11-13(9-15-16)17-14-7-4-8-18-14/h1-9,11H,10H2
InChIKeyOUDIESRASBUJGF-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.79
Rot. Bonds4

About 1-benzyl-4-thiophen-2-yloxypyrazole

1-benzyl-4-thiophen-2-yloxypyrazole (PubChem CID 117233985) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-benzyl-4-thiophen-2-yloxypyrazole.

Molecular Properties

Compound Name1-benzyl-4-thiophen-2-yloxypyrazole
PubChem CID117233985
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-benzyl-4-thiophen-2-yloxypyrazole
SMILESc1ccc(Cn2cc(Oc3cccs3)cn2)cc1
InChIInChI=1S/C14H12N2OS/c1-2-5-12(6-3-1)10-16-11-13(9-15-16)17-14-7-4-8-18-14/h1-9,11H,10H2
InChIKeyOUDIESRASBUJGF-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
CID 117233849
N'-(1-benzylpyrazol-4-yl)ethanimidamide
CID 131165771
1-benzyl-4-(oxan-3-yloxy)pyrazole
CID 117233868
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 62999432
1-benzyl-4-(2-thiophen-2-ylethyl)triazole
CID 112718862
[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid
CID 142798487
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-thiophen-2-yloxypyrazole?
The IUPAC name of 1-benzyl-4-thiophen-2-yloxypyrazole (CID 117233985) is 1-benzyl-4-thiophen-2-yloxypyrazole.
What is the SMILES notation for 1-benzyl-4-thiophen-2-yloxypyrazole?
The canonical SMILES for 1-benzyl-4-thiophen-2-yloxypyrazole is c1ccc(Cn2cc(Oc3cccs3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-thiophen-2-yloxypyrazole?
The InChIKey is OUDIESRASBUJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-5-12(6-3-1)10-16-11-13(9-15-16)17-14-7-4-8-18-14/h1-9,11H,10H2.
What are the key properties of 1-benzyl-4-thiophen-2-yloxypyrazole?
1-benzyl-4-thiophen-2-yloxypyrazole has a molecular weight of 256.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-thiophen-2-yloxypyrazole is sourced from PubChem (CID 117233985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).