1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

C13H19F2N5O2S — CID 51853425

IUPAC1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCc1ccnn1C[C@@H](C)CNS(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-9(8-19-10(2)4-5-16-19)6-18-23(21,22)12-7-17-20(11(12)3)13(14)15/h4-5,7,9,13,18H,6,8H2,1-3H3/t9-/m0/s1
InChIKeyFPQSPIBNLDOIPP-VIFPVBQESA-N
MW347.39 g/mol
LogP1.71
Rot. Bonds7

About 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (PubChem CID 51853425) has the molecular formula C13H19F2N5O2S and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
PubChem CID51853425
Molecular FormulaC13H19F2N5O2S
Molecular Weight347.39 g/mol
Exact Mass347.12
IUPAC Name1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCc1ccnn1C[C@@H](C)CNS(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-9(8-19-10(2)4-5-16-19)6-18-23(21,22)12-7-17-20(11(12)3)13(14)15/h4-5,7,9,13,18H,6,8H2,1-3H3/t9-/m0/s1
InChIKeyFPQSPIBNLDOIPP-VIFPVBQESA-N
XLogP1.71
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (CID 51853425) is 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is Cc1ccnn1C[C@@H](C)CNS(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The InChIKey is FPQSPIBNLDOIPP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F2N5O2S/c1-9(8-19-10(2)4-5-16-19)6-18-23(21,22)12-7-17-20(11(12)3)13(14)15/h4-5,7,9,13,18H,6,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide has a molecular weight of 347.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).