N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C19H21ClF3N5O2S — CID 22208644

IUPACN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C19H21ClF3N5O2S/c1-12-17(14(3)28(25-12)15-8-5-4-6-9-15)31(29,30)24-10-7-11-27-13(2)16(20)18(26-27)19(21,22)23/h4-6,8-9,24H,7,10-11H2,1-3H3
InChIKeyQCHFMCOMWVAFEU-UHFFFAOYSA-N
MW475.92 g/mol
LogP4.03
Rot. Bonds7

About N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22208644) has the molecular formula C19H21ClF3N5O2S and a molecular weight of 475.92 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22208644
Molecular FormulaC19H21ClF3N5O2S
Molecular Weight475.92 g/mol
Exact Mass475.11
IUPAC NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C19H21ClF3N5O2S/c1-12-17(14(3)28(25-12)15-8-5-4-6-9-15)31(29,30)24-10-7-11-27-13(2)16(20)18(26-27)19(21,22)23/h4-6,8-9,24H,7,10-11H2,1-3H3
InChIKeyQCHFMCOMWVAFEU-UHFFFAOYSA-N
XLogP4.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22208601
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-ethoxybenzenesulfonamide
CID 22208605
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19326191
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-fluorophenyl)thiourea
CID 17381041
3-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzothiophene-2-carboxamide
CID 19326176
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207611

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22208644) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is QCHFMCOMWVAFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N5O2S/c1-12-17(14(3)28(25-12)15-8-5-4-6-9-15)31(29,30)24-10-7-11-27-13(2)16(20)18(26-27)19(21,22)23/h4-6,8-9,24H,7,10-11H2,1-3H3.
What are the key properties of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 475.92 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22208644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).