[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol

C22H24FN3O3S — CID 139001905

IUPAC[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN3O3S/c23-20-8-6-18(7-9-20)12-22(17-27)10-11-26(16-22)30(28,29)21-13-24-25(15-21)14-19-4-2-1-3-5-19/h1-9,13,15,27H,10-12,14,16-17H2
InChIKeyHKVAKBZORAQPFN-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.69
Rot. Bonds7

About [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol

[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 139001905) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID139001905
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN3O3S/c23-20-8-6-18(7-9-20)12-22(17-27)10-11-26(16-22)30(28,29)21-13-24-25(15-21)14-19-4-2-1-3-5-19/h1-9,13,15,27H,10-12,14,16-17H2
InChIKeyHKVAKBZORAQPFN-UHFFFAOYSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol 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-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 45210574
(3aS,6aR)-2-(1-benzylpyrazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679594
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582032
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 42189124
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 86870379
5-[3-benzyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-6-fluoro-1-(4-fluorophenyl)benzotriazole
CID 171467883
4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154747876
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol
CID 126808365
3-benzyl-7-(4-fluorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 3078265
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 136549115

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 139001905) is [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HKVAKBZORAQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c23-20-8-6-18(7-9-20)12-22(17-27)10-11-26(16-22)30(28,29)21-13-24-25(15-21)14-19-4-2-1-3-5-19/h1-9,13,15,27H,10-12,14,16-17H2.
What are the key properties of [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 429.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 139001905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).