methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole

C14H25N3O3S — CID 161320602

IUPACmethane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESC.COC1CCCCC1N1Cc2cn(S(C)(=O)=O)nc2C1
InChIInChI=1S/C13H21N3O3S.CH4/c1-19-13-6-4-3-5-12(13)15-7-10-8-16(20(2,17)18)14-11(10)9-15;/h8,12-13H,3-7,9H2,1-2H3;1H4
InChIKeyVKBYOOHOFNHMDC-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.60
Rot. Bonds3

About methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole

methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 161320602) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Namemethane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID161320602
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Namemethane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESC.COC1CCCCC1N1Cc2cn(S(C)(=O)=O)nc2C1
InChIInChI=1S/C13H21N3O3S.CH4/c1-19-13-6-4-3-5-12(13)15-7-10-8-16(20(2,17)18)14-11(10)9-15;/h8,12-13H,3-7,9H2,1-2H3;1H4
InChIKeyVKBYOOHOFNHMDC-UHFFFAOYSA-N
XLogP1.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 161320602) is methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole is C.COC1CCCCC1N1Cc2cn(S(C)(=O)=O)nc2C1.
What is the InChIKey of methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is VKBYOOHOFNHMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.CH4/c1-19-13-6-4-3-5-12(13)15-7-10-8-16(20(2,17)18)14-11(10)9-15;/h8,12-13H,3-7,9H2,1-2H3;1H4.
What are the key properties of methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 315.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(2-methoxycyclohexyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 161320602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).