1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide

C15H23F2N5O2S — CID 51853550

IUPAC1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1
InChIInChI=1S/C15H23F2N5O2S/c1-9(8-21-11(3)6-10(2)19-21)7-18-25(23,24)14-12(4)20-22(13(14)5)15(16)17/h6,9,15,18H,7-8H2,1-5H3/t9-/m1/s1
InChIKeyOBNGPXPFGRCHIF-SECBINFHSA-N
MW375.45 g/mol
LogP2.32
Rot. Bonds7

About 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 51853550) has the molecular formula C15H23F2N5O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID51853550
Molecular FormulaC15H23F2N5O2S
Molecular Weight375.45 g/mol
Exact Mass375.15
IUPAC Name1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1
InChIInChI=1S/C15H23F2N5O2S/c1-9(8-21-11(3)6-10(2)19-21)7-18-25(23,24)14-12(4)20-22(13(14)5)15(16)17/h6,9,15,18H,7-8H2,1-5H3/t9-/m1/s1
InChIKeyOBNGPXPFGRCHIF-SECBINFHSA-N
XLogP2.32
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 51853550) is 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide is Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is OBNGPXPFGRCHIF-SECBINFHSA-N. The full InChI is InChI=1S/C15H23F2N5O2S/c1-9(8-21-11(3)6-10(2)19-21)7-18-25(23,24)14-12(4)20-22(13(14)5)15(16)17/h6,9,15,18H,7-8H2,1-5H3/t9-/m1/s1.
What are the key properties of 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51853550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).