1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide

C17H23F2N3O3S — CID 46957565

IUPAC1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCOCC(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cn(C(F)F)nc1C
InChIInChI=1S/C17H23F2N3O3S/c1-12-6-5-7-15(8-12)9-22(13(2)11-25-4)26(23,24)16-10-21(17(18)19)20-14(16)3/h5-8,10,13,17H,9,11H2,1-4H3
InChIKeyRPKXDNGMPVZZKY-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.12
Rot. Bonds8

About 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 46957565) has the molecular formula C17H23F2N3O3S and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID46957565
Molecular FormulaC17H23F2N3O3S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCOCC(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cn(C(F)F)nc1C
InChIInChI=1S/C17H23F2N3O3S/c1-12-6-5-7-15(8-12)9-22(13(2)11-25-4)26(23,24)16-10-21(17(18)19)20-14(16)3/h5-8,10,13,17H,9,11H2,1-4H3
InChIKeyRPKXDNGMPVZZKY-UHFFFAOYSA-N
XLogP3.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 51586593
2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 131921042
N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282442
methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 19615013
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 55676521
2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
CID 168793753
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 131930163
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 86983221

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide (CID 46957565) is 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide is COCC(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cn(C(F)F)nc1C.
What is the InChIKey of 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is RPKXDNGMPVZZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3S/c1-12-6-5-7-15(8-12)9-22(13(2)11-25-4)26(23,24)16-10-21(17(18)19)20-14(16)3/h5-8,10,13,17H,9,11H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 387.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 46957565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).