N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide

C13H20FN5O3S — CID 171131089

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1ncc(C=NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1F
InChIInChI=1S/C13H20FN5O3S/c1-3-19-12(14)11(9-16-19)8-15-17-13(20)10-4-6-18(7-5-10)23(2,21)22/h8-10H,3-7H2,1-2H3,(H,17,20)
InChIKeyCYPMKKWNXIHQHZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.16
Rot. Bonds5

About N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 171131089) has the molecular formula C13H20FN5O3S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID171131089
Molecular FormulaC13H20FN5O3S
Molecular Weight345.40 g/mol
Exact Mass345.13
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1ncc(C=NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1F
InChIInChI=1S/C13H20FN5O3S/c1-3-19-12(14)11(9-16-19)8-15-17-13(20)10-4-6-18(7-5-10)23(2,21)22/h8-10H,3-7H2,1-2H3,(H,17,20)
InChIKeyCYPMKKWNXIHQHZ-UHFFFAOYSA-N
XLogP0.16
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide 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

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide
CID 171130965
(3R)-1-methylsulfonyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-3-carboxamide
CID 27520642
1-ethylsulfonyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]piperidine-3-carboxamide
CID 135621504
N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46495512
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
(3R)-N-[(Z)-(4-methylphenyl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide
CID 27512193
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 170709380
(3S)-1-ethylsulfonyl-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]piperidine-3-carboxamide
CID 124844073
N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 171131091

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide (CID 171131089) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide is CCn1ncc(C=NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is CYPMKKWNXIHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O3S/c1-3-19-12(14)11(9-16-19)8-15-17-13(20)10-4-6-18(7-5-10)23(2,21)22/h8-10H,3-7H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 171131089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).