methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate

C16H18F3N3O4S — CID 166330537

IUPACmethyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)nn1C
InChIInChI=1S/C16H18F3N3O4S/c1-15(2,16(17,18)19)10-5-7-11(8-6-10)27(24,25)21-13-9-12(14(23)26-4)22(3)20-13/h5-9H,1-4H3,(H,20,21)
InChIKeyKGLRBRYUWHWQFS-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.85
Rot. Bonds5

About methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate

methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate (PubChem CID 166330537) has the molecular formula C16H18F3N3O4S and a molecular weight of 405.40 g/mol. Its IUPAC name is methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate
PubChem CID166330537
Molecular FormulaC16H18F3N3O4S
Molecular Weight405.40 g/mol
Exact Mass405.10
IUPAC Namemethyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)nn1C
InChIInChI=1S/C16H18F3N3O4S/c1-15(2,16(17,18)19)10-5-7-11(8-6-10)27(24,25)21-13-9-12(14(23)26-4)22(3)20-13/h5-9H,1-4H3,(H,20,21)
InChIKeyKGLRBRYUWHWQFS-UHFFFAOYSA-N
XLogP2.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylate
CID 166330541
3-[(2-fluoro-3-methylphenyl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
CID 138044503
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
CID 91645949
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
sodium 2,2-difluoro-2-(5-methoxycarbonyl-1-methylpyrazol-3-yl)oxyacetate
CID 156696153
methyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 26489724
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
3-[4-[(5-bromo-1-methylpyrazol-3-yl)sulfamoyl]phenyl]propanoic acid
CID 75399979
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477450

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate (CID 166330537) is methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate is COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)nn1C.
What is the InChIKey of methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate?
The InChIKey is KGLRBRYUWHWQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4S/c1-15(2,16(17,18)19)10-5-7-11(8-6-10)27(24,25)21-13-9-12(14(23)26-4)22(3)20-13/h5-9H,1-4H3,(H,20,21).
What are the key properties of methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate?
methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate has a molecular weight of 405.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate is sourced from PubChem (CID 166330537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).