1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide

C14H20F3N5O2S — CID 19614426

IUPAC1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)Cn2nc(C(F)(F)F)cc2C)cnn1C
InChIInChI=1S/C14H20F3N5O2S/c1-9(8-22-10(2)5-13(20-22)14(15,16)17)6-19-25(23,24)12-7-18-21(4)11(12)3/h5,7,9,19H,6,8H2,1-4H3
InChIKeyBVERVSZFRRYUKX-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.87
Rot. Bonds6

About 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 19614426) has the molecular formula C14H20F3N5O2S and a molecular weight of 379.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID19614426
Molecular FormulaC14H20F3N5O2S
Molecular Weight379.41 g/mol
Exact Mass379.13
IUPAC Name1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)Cn2nc(C(F)(F)F)cc2C)cnn1C
InChIInChI=1S/C14H20F3N5O2S/c1-9(8-22-10(2)5-13(20-22)14(15,16)17)6-19-25(23,24)12-7-18-21(4)11(12)3/h5,7,9,19H,6,8H2,1-4H3
InChIKeyBVERVSZFRRYUKX-UHFFFAOYSA-N
XLogP1.87
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 19614426) is 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(C)Cn2nc(C(F)(F)F)cc2C)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is BVERVSZFRRYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2S/c1-9(8-22-10(2)5-13(20-22)14(15,16)17)6-19-25(23,24)12-7-18-21(4)11(12)3/h5,7,9,19H,6,8H2,1-4H3.
What are the key properties of 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 379.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).