N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide

C20H24F3N5O4S — CID 29095291

IUPACN-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2ccc(OCC(F)(F)F)c(OC)c2)c2cn(C)nc2C)cn1
InChIInChI=1S/C20H24F3N5O4S/c1-5-27-11-16(9-24-27)33(29,30)28(17-12-26(3)25-14(17)2)10-15-6-7-18(19(8-15)31-4)32-13-20(21,22)23/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyFCBAHQZGVLLTHH-UHFFFAOYSA-N
MW487.50 g/mol
LogP3.29
Rot. Bonds9

About N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide

N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide (PubChem CID 29095291) has the molecular formula C20H24F3N5O4S and a molecular weight of 487.50 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide
PubChem CID29095291
Molecular FormulaC20H24F3N5O4S
Molecular Weight487.50 g/mol
Exact Mass487.15
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2ccc(OCC(F)(F)F)c(OC)c2)c2cn(C)nc2C)cn1
InChIInChI=1S/C20H24F3N5O4S/c1-5-27-11-16(9-24-27)33(29,30)28(17-12-26(3)25-14(17)2)10-15-6-7-18(19(8-15)31-4)32-13-20(21,22)23/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyFCBAHQZGVLLTHH-UHFFFAOYSA-N
XLogP3.29
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
1-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazole-4-sulfonamide
CID 29092773
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide (CID 29095291) is N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(Cc2ccc(OCC(F)(F)F)c(OC)c2)c2cn(C)nc2C)cn1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is FCBAHQZGVLLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O4S/c1-5-27-11-16(9-24-27)33(29,30)28(17-12-26(3)25-14(17)2)10-15-6-7-18(19(8-15)31-4)32-13-20(21,22)23/h6-9,11-12H,5,10,13H2,1-4H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 487.50 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 29095291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).