5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide

C11H17N3O3S — CID 166160187

IUPAC5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCc1nn(S(C)=O)cc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C11H17N3O3S/c1-7-4-5-10(17-7)11(15)12-9-6-14(18(3)16)13-8(9)2/h6-7,10H,4-5H2,1-3H3,(H,12,15)
InChIKeyNVEIXLYBBXJVMQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.84
Rot. Bonds3

About 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide

5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide (PubChem CID 166160187) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide
PubChem CID166160187
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCc1nn(S(C)=O)cc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C11H17N3O3S/c1-7-4-5-10(17-7)11(15)12-9-6-14(18(3)16)13-8(9)2/h6-7,10H,4-5H2,1-3H3,(H,12,15)
InChIKeyNVEIXLYBBXJVMQ-UHFFFAOYSA-N
XLogP0.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 166160926
CID 166160926
CID 166161260
CID 166161260
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 167211970
5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806114
N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806235
(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
CID 138026771
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160302
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160443
(2R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160798
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
CID 166161004
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166161030
5-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 113738597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide (CID 166160187) is 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide is Cc1nn(S(C)=O)cc1NC(=O)C1CCC(C)O1.
What is the InChIKey of 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide?
The InChIKey is NVEIXLYBBXJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-4-5-10(17-7)11(15)12-9-6-14(18(3)16)13-8(9)2/h6-7,10H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide?
5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 166160187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).