4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine

C11H17F2N3OS — CID 145127495

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine
SMILESCc1cc(S(=O)C(F)(F)C2CCNCC2)n(C)n1
InChIInChI=1S/C11H17F2N3OS/c1-8-7-10(16(2)15-8)18(17)11(12,13)9-3-5-14-6-4-9/h7,9,14H,3-6H2,1-2H3
InChIKeyRFYIYZBMEWSNDM-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.43
Rot. Bonds3

About 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine

4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine (PubChem CID 145127495) has the molecular formula C11H17F2N3OS and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine
PubChem CID145127495
Molecular FormulaC11H17F2N3OS
Molecular Weight277.34 g/mol
Exact Mass277.11
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine
SMILESCc1cc(S(=O)C(F)(F)C2CCNCC2)n(C)n1
InChIInChI=1S/C11H17F2N3OS/c1-8-7-10(16(2)15-8)18(17)11(12,13)9-3-5-14-6-4-9/h7,9,14H,3-6H2,1-2H3
InChIKeyRFYIYZBMEWSNDM-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83909101
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
N-(2,5-dimethylpyrazol-3-yl)-3-piperidin-4-yloxypropanamide
CID 55252255
4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
CID 116838804
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255
N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154900615
S-[3-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate;2,2,2-trifluoroacetic acid
CID 74020368
2-cyclopropyl-2-(2,5-dimethylpyrazol-3-yl)propan-1-amine
CID 83830552
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
1-methyl-5-piperidin-4-ylpyrazol-3-amine
CID 83409077
1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 83828117
4-ethyl-2-methyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271356

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine (CID 145127495) is 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine is Cc1cc(S(=O)C(F)(F)C2CCNCC2)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine?
The InChIKey is RFYIYZBMEWSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3OS/c1-8-7-10(16(2)15-8)18(17)11(12,13)9-3-5-14-6-4-9/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine?
4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine has a molecular weight of 277.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine is sourced from PubChem (CID 145127495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).