N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H25ClN4O3S — CID 17022812

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1Cl
InChIInChI=1S/C15H25ClN4O3S/c1-11-14(16)12(2)20(18-11)8-4-7-17-15(21)13-5-9-19(10-6-13)24(3,22)23/h13H,4-10H2,1-3H3,(H,17,21)
InChIKeyKAPYSAINHXRDJW-UHFFFAOYSA-N
MW376.91 g/mol
LogP1.33
Rot. Bonds6

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17022812) has the molecular formula C15H25ClN4O3S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17022812
Molecular FormulaC15H25ClN4O3S
Molecular Weight376.91 g/mol
Exact Mass376.13
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1Cl
InChIInChI=1S/C15H25ClN4O3S/c1-11-14(16)12(2)20(18-11)8-4-7-17-15(21)13-5-9-19(10-6-13)24(3,22)23/h13H,4-10H2,1-3H3,(H,17,21)
InChIKeyKAPYSAINHXRDJW-UHFFFAOYSA-N
XLogP1.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 17022812) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is KAPYSAINHXRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O3S/c1-11-14(16)12(2)20(18-11)8-4-7-17-15(21)13-5-9-19(10-6-13)24(3,22)23/h13H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17022812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).