1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one

C22H24N2OS — CID 58955895

IUPAC1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2C2CCCC2)s1
InChIInChI=1S/C22H24N2OS/c1-15(2)22(25)21-13-12-20(26-21)19-14-18(16-8-4-3-5-9-16)23-24(19)17-10-6-7-11-17/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3
InChIKeyGDINAIYRXLIFDE-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.23
Rot. Bonds5

About 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one

1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 58955895) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID58955895
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2C2CCCC2)s1
InChIInChI=1S/C22H24N2OS/c1-15(2)22(25)21-13-12-20(26-21)19-14-18(16-8-4-3-5-9-16)23-24(19)17-10-6-7-11-17/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3
InChIKeyGDINAIYRXLIFDE-UHFFFAOYSA-N
XLogP6.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one (CID 58955895) is 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2C2CCCC2)s1.
What is the InChIKey of 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is GDINAIYRXLIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-15(2)22(25)21-13-12-20(26-21)19-14-18(16-8-4-3-5-9-16)23-24(19)17-10-6-7-11-17/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3.
What are the key properties of 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one?
1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 364.51 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58955895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).