[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol

C15H25N3O4S — CID 129334972

IUPAC[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol
SMILESCn1cc([C@@H]2CN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@H]2CO)cn1
InChIInChI=1S/C15H25N3O4S/c1-17-7-12(6-16-17)15-9-18(8-13(15)10-19)23(20,21)11-14-4-2-3-5-22-14/h6-7,13-15,19H,2-5,8-11H2,1H3/t13-,14-,15-/m0/s1
InChIKeyOKRTVBDPOQHDCJ-KKUMJFAQSA-N
MW343.45 g/mol
LogP0.33
Rot. Bonds5

About [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol

[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol (PubChem CID 129334972) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol
PubChem CID129334972
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol
SMILESCn1cc([C@@H]2CN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@H]2CO)cn1
InChIInChI=1S/C15H25N3O4S/c1-17-7-12(6-16-17)15-9-18(8-13(15)10-19)23(20,21)11-14-4-2-3-5-22-14/h6-7,13-15,19H,2-5,8-11H2,1H3/t13-,14-,15-/m0/s1
InChIKeyOKRTVBDPOQHDCJ-KKUMJFAQSA-N
XLogP0.33
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]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

[(3S,4R)-1-butylsulfonyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 128996429
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1-[(2S)-oxolan-2-yl]methanesulfonamide
CID 129333429
[(3S,4R)-1-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581540
[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 120581532
[(3S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 129003242
3,5-difluoro-4-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 129005382
5-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129003128
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone;hydrochloride
CID 120936665
(3S,4S)-4-methyl-1-(oxan-2-ylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122104081
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
CID 128969076

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol (CID 129334972) is [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol is Cn1cc([C@@H]2CN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@H]2CO)cn1.
What is the InChIKey of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol?
The InChIKey is OKRTVBDPOQHDCJ-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-17-7-12(6-16-17)15-9-18(8-13(15)10-19)23(20,21)11-14-4-2-3-5-22-14/h6-7,13-15,19H,2-5,8-11H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol?
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol has a molecular weight of 343.45 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[[(2S)-oxan-2-yl]methylsulfonyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129334972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).