(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C17H26N6O3S — CID 51388671

IUPAC(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cn1
InChIInChI=1S/C17H26N6O3S/c1-4-22-11-14(9-20-22)8-18-17(24)15-6-5-7-23(12-15)27(25,26)16-10-19-21(3)13(16)2/h9-11,15H,4-8,12H2,1-3H3,(H,18,24)/t15-/m0/s1
InChIKeyUEXGTLGSNLRZIK-HNNXBMFYSA-N
MW394.50 g/mol
LogP0.66
Rot. Bonds6

About (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 51388671) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID51388671
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC Name(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cn1
InChIInChI=1S/C17H26N6O3S/c1-4-22-11-14(9-20-22)8-18-17(24)15-6-5-7-23(12-15)27(25,26)16-10-19-21(3)13(16)2/h9-11,15H,4-8,12H2,1-3H3,(H,18,24)/t15-/m0/s1
InChIKeyUEXGTLGSNLRZIK-HNNXBMFYSA-N
XLogP0.66
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

8-(1-Ethyl-5-methylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[5.5]undec-3-en-1-one
CID 110223833
8-(1-Ethyl-3-methylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[5.5]undec-3-en-1-one
CID 110223836
(4S)-4-amino-N-ethyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]-L-prolinamide
CID 56718288
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51388772
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 51388816
(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388821
1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}piperidine-3-carboxamide
CID 17024885
1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]piperidine-3-carboxamide
CID 17024944
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}piperidine-3-carboxamide
CID 19583718
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide
CID 40433475
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide
CID 40433476
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40433514

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 51388671) is (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cn1.
What is the InChIKey of (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is UEXGTLGSNLRZIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-4-22-11-14(9-20-22)8-18-17(24)15-6-5-7-23(12-15)27(25,26)16-10-19-21(3)13(16)2/h9-11,15H,4-8,12H2,1-3H3,(H,18,24)/t15-/m0/s1.
What are the key properties of (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51388671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).