1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone

C15H16N2OS — CID 71471183

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone
SMILESCn1nc(C2CC2)cc1C(=O)CSc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-17-14(9-13(16-17)11-7-8-11)15(18)10-19-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyUDFDBDAPLZJGTD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.27
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone (PubChem CID 71471183) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone
PubChem CID71471183
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone
SMILESCn1nc(C2CC2)cc1C(=O)CSc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-17-14(9-13(16-17)11-7-8-11)15(18)10-19-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyUDFDBDAPLZJGTD-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone (CID 71471183) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone is Cn1nc(C2CC2)cc1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone?
The InChIKey is UDFDBDAPLZJGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17-14(9-13(16-17)11-7-8-11)15(18)10-19-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone has a molecular weight of 272.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 71471183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).