4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C22H18F3N5O2S — CID 55509923

IUPAC4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C22H18F3N5O2S/c1-29-11-10-26-21(29)33-17-8-6-15(7-9-17)27-20(31)19-18(32-2)13-30(28-19)16-5-3-4-14(12-16)22(23,24)25/h3-13H,1-2H3,(H,27,31)
InChIKeyLSCCVEJJHCLITF-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.04
Rot. Bonds6

About 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55509923) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID55509923
Molecular FormulaC22H18F3N5O2S
Molecular Weight473.48 g/mol
Exact Mass473.11
IUPAC Name4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C22H18F3N5O2S/c1-29-11-10-26-21(29)33-17-8-6-15(7-9-17)27-20(31)19-18(32-2)13-30(28-19)16-5-3-4-14(12-16)22(23,24)25/h3-13H,1-2H3,(H,27,31)
InChIKeyLSCCVEJJHCLITF-UHFFFAOYSA-N
XLogP5.04
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide 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

N-[4-(ethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55802087
4-methoxy-N-(4-morpholin-4-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24621815
N-[4-(diethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622491
methyl 2-[[4-[[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]benzoyl]amino]acetate
CID 55509890
4-methoxy-N-quinolin-8-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624522
N-(2-ethoxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624365
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55947686
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55795979
N-[2-chloro-5-(propanoylamino)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55799392
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622193
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55577176
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622406

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55509923) is 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(Sc2nccn2C)cc1.
What is the InChIKey of 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is LSCCVEJJHCLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c1-29-11-10-26-21(29)33-17-8-6-15(7-9-17)27-20(31)19-18(32-2)13-30(28-19)16-5-3-4-14(12-16)22(23,24)25/h3-13H,1-2H3,(H,27,31).
What are the key properties of 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55509923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).