2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide

C19H17F3N4O2S — CID 167893439

IUPAC2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESCn1ccc(CNc2ccc(C(=O)Nc3cccc(SC(F)(F)F)c3)c(O)c2)n1
InChIInChI=1S/C19H17F3N4O2S/c1-26-8-7-14(25-26)11-23-12-5-6-16(17(27)10-12)18(28)24-13-3-2-4-15(9-13)29-19(20,21)22/h2-10,23,27H,11H2,1H3,(H,24,28)
InChIKeyOSYVBJZNTLHWEJ-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.60
Rot. Bonds6

About 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide

2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide (PubChem CID 167893439) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
PubChem CID167893439
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESCn1ccc(CNc2ccc(C(=O)Nc3cccc(SC(F)(F)F)c3)c(O)c2)n1
InChIInChI=1S/C19H17F3N4O2S/c1-26-8-7-14(25-26)11-23-12-5-6-16(17(27)10-12)18(28)24-13-3-2-4-15(9-13)29-19(20,21)22/h2-10,23,27H,11H2,1H3,(H,24,28)
InChIKeyOSYVBJZNTLHWEJ-UHFFFAOYSA-N
XLogP4.60
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide 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

2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid
CID 19624603
2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168524340
6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 166230854
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
5-cyclopropyl-3-ethylsulfanyl-N-[3-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 130382500
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
1-[(4-methylsulfanylphenyl)methyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3451199
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
3-(difluoromethyl)-1-methyl-N-[2-[3-(trifluoromethylsulfanyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 143664100
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide (CID 167893439) is 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide is Cn1ccc(CNc2ccc(C(=O)Nc3cccc(SC(F)(F)F)c3)c(O)c2)n1.
What is the InChIKey of 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is OSYVBJZNTLHWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c1-26-8-7-14(25-26)11-23-12-5-6-16(17(27)10-12)18(28)24-13-3-2-4-15(9-13)29-19(20,21)22/h2-10,23,27H,11H2,1H3,(H,24,28).
What are the key properties of 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 422.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 167893439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).