(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide

C12H21N5O3S — CID 7026078

IUPAC(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)c(C)n1
InChIInChI=1S/C12H21N5O3S/c1-3-16-8-11(9(2)15-16)21(19,20)17-6-4-5-10(7-17)12(18)14-13/h8,10H,3-7,13H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyLUJQDQJGIQIPLU-JTQLQIEISA-N
MW315.40 g/mol
LogP-0.40
Rot. Bonds4

About (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide

(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 7026078) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
PubChem CID7026078
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)c(C)n1
InChIInChI=1S/C12H21N5O3S/c1-3-16-8-11(9(2)15-16)21(19,20)17-6-4-5-10(7-17)12(18)14-13/h8,10H,3-7,13H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyLUJQDQJGIQIPLU-JTQLQIEISA-N
XLogP-0.40
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 4776817
(3S)-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 27527792
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023425
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 17022331
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40822913
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023494
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19583677
cyclobutyl-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 138386749
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 19583408
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
CID 92626936

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide (CID 7026078) is (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide is CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)c(C)n1.
What is the InChIKey of (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is LUJQDQJGIQIPLU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-3-16-8-11(9(2)15-16)21(19,20)17-6-4-5-10(7-17)12(18)14-13/h8,10H,3-7,13H2,1-2H3,(H,14,18)/t10-/m0/s1.
What are the key properties of (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 315.40 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 7026078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).