1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine

C14H21N5O2S — CID 110271079

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCCN1S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C14H21N5O2S/c1-10-8-15-16-14(10)12-6-4-5-7-19(12)22(20,21)13-9-18(3)17-11(13)2/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyLFHRURZRVLTLCD-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.68
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 110271079) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID110271079
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCCN1S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C14H21N5O2S/c1-10-8-15-16-14(10)12-6-4-5-7-19(12)22(20,21)13-9-18(3)17-11(13)2/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyLFHRURZRVLTLCD-UHFFFAOYSA-N
XLogP1.68
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 124961579
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
CID 110257003
5-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803186
5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124998057
(4aS,9aS)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4a-methyl-3,4,5,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepine
CID 110140359
5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124995262
(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
CID 98337206
4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
CID 95706787
2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
CID 110106240

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 110271079) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1C1CCCCN1S(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is LFHRURZRVLTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10-8-15-16-14(10)12-6-4-5-7-19(12)22(20,21)13-9-18(3)17-11(13)2/h8-9,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 323.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 110271079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).