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

C10H17N5O3S — CID 17024564

IUPAC1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCn1cc(S(=O)(=O)N2CCCC(C(=O)NN)C2)cn1
InChIInChI=1S/C10H17N5O3S/c1-14-7-9(5-12-14)19(17,18)15-4-2-3-8(6-15)10(16)13-11/h5,7-8H,2-4,6,11H2,1H3,(H,13,16)
InChIKeyDAJDXCITHMISAE-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.19
Rot. Bonds3

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

1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 17024564) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
PubChem CID17024564
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCn1cc(S(=O)(=O)N2CCCC(C(=O)NN)C2)cn1
InChIInChI=1S/C10H17N5O3S/c1-14-7-9(5-12-14)19(17,18)15-4-2-3-8(6-15)10(16)13-11/h5,7-8H,2-4,6,11H2,1H3,(H,13,16)
InChIKeyDAJDXCITHMISAE-UHFFFAOYSA-N
XLogP-1.19
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.19
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'}

Analyze 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide (CID 17024564) is 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide is Cn1cc(S(=O)(=O)N2CCCC(C(=O)NN)C2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is DAJDXCITHMISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-14-7-9(5-12-14)19(17,18)15-4-2-3-8(6-15)10(16)13-11/h5,7-8H,2-4,6,11H2,1H3,(H,13,16).
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide?
1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 287.34 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 17024564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).