1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide

C14H24F2N4O3S — CID 51597914

IUPAC1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOCCN1CC[C@@H](CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1
InChIInChI=1S/C14H24F2N4O3S/c1-10-13(11(2)20(18-10)14(15)16)24(21,22)17-8-12-4-5-19(9-12)6-7-23-3/h12,14,17H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyOBDQEQAVULFXEX-LBPRGKRZSA-N
MW366.43 g/mol
LogP1.14
Rot. Bonds8

About 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 51597914) has the molecular formula C14H24F2N4O3S and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID51597914
Molecular FormulaC14H24F2N4O3S
Molecular Weight366.43 g/mol
Exact Mass366.15
IUPAC Name1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOCCN1CC[C@@H](CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1
InChIInChI=1S/C14H24F2N4O3S/c1-10-13(11(2)20(18-10)14(15)16)24(21,22)17-8-12-4-5-19(9-12)6-7-23-3/h12,14,17H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyOBDQEQAVULFXEX-LBPRGKRZSA-N
XLogP1.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 131915211
4-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 131931555
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600949
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19582943
1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106026848
(2S)-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine
CID 92604471
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl methanesulfonate
CID 87320907
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 51597914) is 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide is COCCN1CC[C@@H](CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1.
What is the InChIKey of 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is OBDQEQAVULFXEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24F2N4O3S/c1-10-13(11(2)20(18-10)14(15)16)24(21,22)17-8-12-4-5-19(9-12)6-7-23-3/h12,14,17H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 366.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51597914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).