(4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C8H13N3O3S — CID 141411271

IUPAC(4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOC[C@H]1NCc2nn(S(C)(=O)=O)cc21
InChIInChI=1S/C8H13N3O3S/c1-14-5-8-6-4-11(15(2,12)13)10-7(6)3-9-8/h4,8-9H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyIDRFTZTYYVOQGR-MRVPVSSYSA-N
MW231.28 g/mol
LogP-0.52
Rot. Bonds3

About (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

(4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 141411271) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID141411271
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name(4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOC[C@H]1NCc2nn(S(C)(=O)=O)cc21
InChIInChI=1S/C8H13N3O3S/c1-14-5-8-6-4-11(15(2,12)13)10-7(6)3-9-8/h4,8-9H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyIDRFTZTYYVOQGR-MRVPVSSYSA-N
XLogP-0.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5R)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
CID 129045568
methyl (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylate
CID 141411237
(4S)-4-(methoxymethyl)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 141411238
ethyl (4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylate
CID 141411250
[(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol
CID 141411253
[(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl]methanol
CID 141411256
tert-butyl (4S)-4-(methoxymethyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 146688029
tert-butyl (4S)-4-(methoxymethyl)-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 148317962
2-(2-Methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
CID 161219128
(1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-4-yl)methanol
CID 174771112
4-(methoxymethyl)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 174771117
4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 174771451

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 141411271) is (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is COC[C@H]1NCc2nn(S(C)(=O)=O)cc21.
What is the InChIKey of (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is IDRFTZTYYVOQGR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-14-5-8-6-4-11(15(2,12)13)10-7(6)3-9-8/h4,8-9H,3,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
(4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 231.28 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 141411271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).