1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine

C18H25FN4O2S — CID 92623748

IUPAC1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1
InChIInChI=1S/C18H25FN4O2S/c1-13-10-14(19)7-8-18(13)26(24,25)23-9-5-6-17(23)16-11-15(12-21(2)3)22(4)20-16/h7-8,10-11,17H,5-6,9,12H2,1-4H3/t17-/m1/s1
InChIKeyVTSIBABKPKVUOU-QGZVFWFLSA-N
MW380.49 g/mol
LogP2.46
Rot. Bonds5

About 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine

1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 92623748) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
PubChem CID92623748
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC Name1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1
InChIInChI=1S/C18H25FN4O2S/c1-13-10-14(19)7-8-18(13)26(24,25)23-9-5-6-17(23)16-11-15(12-21(2)3)22(4)20-16/h7-8,10-11,17H,5-6,9,12H2,1-4H3/t17-/m1/s1
InChIKeyVTSIBABKPKVUOU-QGZVFWFLSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 92622236
1-[3-[(3R)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
CID 92623829
5-[(dimethylamino)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66051820
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739875
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
N'-[2-(dimethylamino)ethyl]-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196962
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286067
1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
CID 92631093
2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidine
CID 102788483
2-(bromomethyl)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidine
CID 102788650

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine (CID 92623748) is 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine is Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1.
What is the InChIKey of 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is VTSIBABKPKVUOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-13-10-14(19)7-8-18(13)26(24,25)23-9-5-6-17(23)16-11-15(12-21(2)3)22(4)20-16/h7-8,10-11,17H,5-6,9,12H2,1-4H3/t17-/m1/s1.
What are the key properties of 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 380.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 92623748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).