N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide

C15H17F2N3O3S — CID 60611756

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C15H17F2N3O3S/c1-10-8-18-20(9-11-7-12(16)3-4-13(11)17)15(10)19-14(21)5-6-24(2,22)23/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,21)
InChIKeyFZVRLEXSYUVFDT-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.89
Rot. Bonds6

About N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide (PubChem CID 60611756) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide
PubChem CID60611756
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C15H17F2N3O3S/c1-10-8-18-20(9-11-7-12(16)3-4-13(11)17)15(10)19-14(21)5-6-24(2,22)23/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,21)
InChIKeyFZVRLEXSYUVFDT-UHFFFAOYSA-N
XLogP1.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide (CID 60611756) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide is Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide?
The InChIKey is FZVRLEXSYUVFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-10-8-18-20(9-11-7-12(16)3-4-13(11)17)15(10)19-14(21)5-6-24(2,22)23/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide has a molecular weight of 357.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 60611756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).