(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine

C12H17N5O2S — CID 124972358

IUPAC(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C12H17N5O2S/c18-20(19,12-7-14-15-8-12)17-5-1-2-10(9-17)6-11-3-4-13-16-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKeyKCMQLSVYSUGSKP-SNVBAGLBSA-N
MW295.37 g/mol
LogP0.78
Rot. Bonds4

About (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine

(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 124972358) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID124972358
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C12H17N5O2S/c18-20(19,12-7-14-15-8-12)17-5-1-2-10(9-17)6-11-3-4-13-16-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKeyKCMQLSVYSUGSKP-SNVBAGLBSA-N
XLogP0.78
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125013427
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997607
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
4-[[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-yl]methyl]isoquinoline
CID 110258916
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
5-[[(4S)-1-(1H-pyrazol-4-ylsulfonyl)azepan-4-yl]methyl]pyrazin-2-amine
CID 124943744
N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 124972358) is (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine is O=S(=O)(c1cn[nH]c1)N1CCC[C@H](Cc2ccn[nH]2)C1.
What is the InChIKey of (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is KCMQLSVYSUGSKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N5O2S/c18-20(19,12-7-14-15-8-12)17-5-1-2-10(9-17)6-11-3-4-13-16-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,13,16)(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 295.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 124972358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).