1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

C14H18F5N5O2S — CID 51853561

IUPAC1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F5N5O2S/c1-3-10(24-9(2)6-12(22-24)14(17,18)19)4-5-21-27(25,26)11-7-20-23(8-11)13(15)16/h6-8,10,13,21H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyULTKMQDVGLQRID-JTQLQIEISA-N
MW415.39 g/mol
LogP3.12
Rot. Bonds8

About 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (PubChem CID 51853561) has the molecular formula C14H18F5N5O2S and a molecular weight of 415.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
PubChem CID51853561
Molecular FormulaC14H18F5N5O2S
Molecular Weight415.39 g/mol
Exact Mass415.11
IUPAC Name1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F5N5O2S/c1-3-10(24-9(2)6-12(22-24)14(17,18)19)4-5-21-27(25,26)11-7-20-23(8-11)13(15)16/h6-8,10,13,21H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyULTKMQDVGLQRID-JTQLQIEISA-N
XLogP3.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (CID 51853561) is 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is CC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The InChIKey is ULTKMQDVGLQRID-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F5N5O2S/c1-3-10(24-9(2)6-12(22-24)14(17,18)19)4-5-21-27(25,26)11-7-20-23(8-11)13(15)16/h6-8,10,13,21H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide has a molecular weight of 415.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).