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

C10H12F3N5O2S — CID 19583006

IUPAC1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C10H12F3N5O2S/c1-5-7(4-18(3)16-5)21(19,20)17-8-6(2)14-15-9(8)10(11,12)13/h4,17H,1-3H3,(H,14,15)
InChIKeyLNZGTJVJOWDRMX-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.58
Rot. Bonds3

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

1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide (PubChem CID 19583006) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide
PubChem CID19583006
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C10H12F3N5O2S/c1-5-7(4-18(3)16-5)21(19,20)17-8-6(2)14-15-9(8)10(11,12)13/h4,17H,1-3H3,(H,14,15)
InChIKeyLNZGTJVJOWDRMX-UHFFFAOYSA-N
XLogP1.58
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide (CID 19583006) is 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
The InChIKey is LNZGTJVJOWDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-5-7(4-18(3)16-5)21(19,20)17-8-6(2)14-15-9(8)10(11,12)13/h4,17H,1-3H3,(H,14,15).
What are the key properties of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19583006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).