2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide

C21H23FN4O3S — CID 68750750

IUPAC2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CS(=O)(=O)C3CCCC3)nn2c1
InChIInChI=1S/C21H23FN4O3S/c1-13-10-23-21-19(15-7-8-17(22)14(2)9-15)20(25-26(21)11-13)24-18(27)12-30(28,29)16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,24,25,27)
InChIKeyMMGICECBYWNPCI-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.45
Rot. Bonds5

About 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide

2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 68750750) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID68750750
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CS(=O)(=O)C3CCCC3)nn2c1
InChIInChI=1S/C21H23FN4O3S/c1-13-10-23-21-19(15-7-8-17(22)14(2)9-15)20(25-26(21)11-13)24-18(27)12-30(28,29)16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,24,25,27)
InChIKeyMMGICECBYWNPCI-UHFFFAOYSA-N
XLogP3.45
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 68750750) is 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide is Cc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CS(=O)(=O)C3CCCC3)nn2c1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is MMGICECBYWNPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-13-10-23-21-19(15-7-8-17(22)14(2)9-15)20(25-26(21)11-13)24-18(27)12-30(28,29)16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,24,25,27).
What are the key properties of 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 68750750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).