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

C13H18F3N5O2S — CID 51853487

IUPAC1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC[C@@H](C)Cn2ccc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C13H18F3N5O2S/c1-9(8-21-5-4-12(19-21)13(14,15)16)6-18-24(22,23)11-7-17-20(3)10(11)2/h4-5,7,9,18H,6,8H2,1-3H3/t9-/m1/s1
InChIKeySQJCJLVLUAWIJM-SECBINFHSA-N
MW365.38 g/mol
LogP1.56
Rot. Bonds6

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

1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 51853487) has the molecular formula C13H18F3N5O2S and a molecular weight of 365.38 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID51853487
Molecular FormulaC13H18F3N5O2S
Molecular Weight365.38 g/mol
Exact Mass365.11
IUPAC Name1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC[C@@H](C)Cn2ccc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C13H18F3N5O2S/c1-9(8-21-5-4-12(19-21)13(14,15)16)6-18-24(22,23)11-7-17-20(3)10(11)2/h4-5,7,9,18H,6,8H2,1-3H3/t9-/m1/s1
InChIKeySQJCJLVLUAWIJM-SECBINFHSA-N
XLogP1.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.56
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-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 51853487) is 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC[C@@H](C)Cn2ccc(C(F)(F)F)n2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is SQJCJLVLUAWIJM-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F3N5O2S/c1-9(8-21-5-4-12(19-21)13(14,15)16)6-18-24(22,23)11-7-17-20(3)10(11)2/h4-5,7,9,18H,6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 365.38 g/mol, XLogP of 1.56, 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-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).