(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine

C15H23N5O2S — CID 124997607

IUPAC(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCCn1ncc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c1C
InChIInChI=1S/C15H23N5O2S/c1-3-20-12(2)15(10-17-20)23(21,22)19-8-4-5-13(11-19)9-14-6-7-16-18-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyRBMOEJONBPYIGF-ZDUSSCGKSA-N
MW337.45 g/mol
LogP1.58
Rot. Bonds5

About (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine

(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 124997607) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID124997607
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCCn1ncc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c1C
InChIInChI=1S/C15H23N5O2S/c1-3-20-12(2)15(10-17-20)23(21,22)19-8-4-5-13(11-19)9-14-6-7-16-18-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyRBMOEJONBPYIGF-ZDUSSCGKSA-N
XLogP1.58
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124955557
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125013427
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 125018683
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
CID 124951929
6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 110106439
(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
CID 72850934
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106536

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine (CID 124997607) is (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine is CCn1ncc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c1C.
What is the InChIKey of (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is RBMOEJONBPYIGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-3-20-12(2)15(10-17-20)23(21,22)19-8-4-5-13(11-19)9-14-6-7-16-18-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 337.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 124997607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).