1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide

C15H18FN3O3S — CID 99859445

IUPAC1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide
SMILESCC[C@H](C)n1ncc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C15H18FN3O3S/c1-4-10(2)19-11(3)14(9-17-19)15(20)18-23(21,22)13-7-5-12(16)6-8-13/h5-10H,4H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyKGMOMGHPILVJAW-JTQLQIEISA-N
MW339.39 g/mol
LogP2.42
Rot. Bonds5

About 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide

1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide (PubChem CID 99859445) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide
PubChem CID99859445
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide
SMILESCC[C@H](C)n1ncc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C15H18FN3O3S/c1-4-10(2)19-11(3)14(9-17-19)15(20)18-23(21,22)13-7-5-12(16)6-8-13/h5-10H,4H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyKGMOMGHPILVJAW-JTQLQIEISA-N
XLogP2.42
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide (CID 99859445) is 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide is CC[C@H](C)n1ncc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
The InChIKey is KGMOMGHPILVJAW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-4-10(2)19-11(3)14(9-17-19)15(20)18-23(21,22)13-7-5-12(16)6-8-13/h5-10H,4H2,1-3H3,(H,18,20)/t10-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99859445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).