N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H13F3N4O3S — CID 87020352

IUPACN-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O3S/c1-20-7-10(11(18-20)13(14,15)16)12(21)17-8-3-5-9(6-4-8)19-24(2,22)23/h3-7,19H,1-2H3,(H,17,21)
InChIKeyCLTXCFMNRBLZMT-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.06
Rot. Bonds4

About N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87020352) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87020352
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC NameN-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O3S/c1-20-7-10(11(18-20)13(14,15)16)12(21)17-8-3-5-9(6-4-8)19-24(2,22)23/h3-7,19H,1-2H3,(H,17,21)
InChIKeyCLTXCFMNRBLZMT-UHFFFAOYSA-N
XLogP2.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 166196936
1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008593
N-(3-chloro-4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008367
1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87042918
N-(3-ethynylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008609
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008834
N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008414
1-methyl-N-[2-(C-methyl-N-phenoxycarbonimidoyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 72611272
N-(4-bromo-2-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008385
4-fluoro-3-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 75516525

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87020352) is N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C(F)(F)F)n1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CLTXCFMNRBLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-20-7-10(11(18-20)13(14,15)16)12(21)17-8-3-5-9(6-4-8)19-24(2,22)23/h3-7,19H,1-2H3,(H,17,21).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87020352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).