2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

C15H16FN3OS — CID 30859127

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCn1nc2c(c1NC(=O)CSc1ccc(F)cc1)CCC2
InChIInChI=1S/C15H16FN3OS/c1-19-15(12-3-2-4-13(12)18-19)17-14(20)9-21-11-7-5-10(16)6-8-11/h5-8H,2-4,9H2,1H3,(H,17,20)
InChIKeySLAFQGDQNKITBZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (PubChem CID 30859127) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
PubChem CID30859127
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCn1nc2c(c1NC(=O)CSc1ccc(F)cc1)CCC2
InChIInChI=1S/C15H16FN3OS/c1-19-15(12-3-2-4-13(12)18-19)17-14(20)9-21-11-7-5-10(16)6-8-11/h5-8H,2-4,9H2,1H3,(H,17,20)
InChIKeySLAFQGDQNKITBZ-UHFFFAOYSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (CID 30859127) is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is Cn1nc2c(c1NC(=O)CSc1ccc(F)cc1)CCC2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The InChIKey is SLAFQGDQNKITBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-19-15(12-3-2-4-13(12)18-19)17-14(20)9-21-11-7-5-10(16)6-8-11/h5-8H,2-4,9H2,1H3,(H,17,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 30859127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).