4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride

C13H20ClF2N3O2S — CID 122424236

IUPAC4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
SMILESCl.Cn1nc(C2CC2)cc1S(=O)(=O)C(F)(F)C1CCNCC1
InChIInChI=1S/C13H19F2N3O2S.ClH/c1-18-12(8-11(17-18)9-2-3-9)21(19,20)13(14,15)10-4-6-16-7-5-10;/h8-10,16H,2-7H2,1H3;1H
InChIKeyMPLFUENANFNLLR-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.09
Rot. Bonds4

About 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride

4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride (PubChem CID 122424236) has the molecular formula C13H20ClF2N3O2S and a molecular weight of 355.84 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
PubChem CID122424236
Molecular FormulaC13H20ClF2N3O2S
Molecular Weight355.84 g/mol
Exact Mass355.09
IUPAC Name4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
SMILESCl.Cn1nc(C2CC2)cc1S(=O)(=O)C(F)(F)C1CCNCC1
InChIInChI=1S/C13H19F2N3O2S.ClH/c1-18-12(8-11(17-18)9-2-3-9)21(19,20)13(14,15)10-4-6-16-7-5-10;/h8-10,16H,2-7H2,1H3;1H
InChIKeyMPLFUENANFNLLR-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-Cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine
CID 122424237
(R)-4-(1-Fluoro-1-((1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)sulfonyl)ethyl)piperidine hydrochloride
CID 122424292
4-[1-Fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine;hydrochloride
CID 122424294
4-[1-Fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine
CID 122424295
4-[(2,5-Dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
CID 122424316
4-[(2,5-Dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
CID 122424317
4-[(3-Cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine-1-carboxylic acid
CID 122424409
1-chloro-4-[(1R)-1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine
CID 122430244
1-Chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
CID 122430363
1-Chloro-4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine
CID 122430662
Tert-butyl 4-[(5-cyclopropyl-2-methylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine-1-carboxylate
CID 122430663
4-[1-[5-(Difluoromethyl)-2-methylpyrazol-3-yl]sulfonyl-1-fluoroethyl]piperidine
CID 122484364

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
The IUPAC name of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride (CID 122424236) is 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride is Cl.Cn1nc(C2CC2)cc1S(=O)(=O)C(F)(F)C1CCNCC1.
What is the InChIKey of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
The InChIKey is MPLFUENANFNLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2S.ClH/c1-18-12(8-11(17-18)9-2-3-9)21(19,20)13(14,15)10-4-6-16-7-5-10;/h8-10,16H,2-7H2,1H3;1H.
What are the key properties of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride is sourced from PubChem (CID 122424236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).