1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine

C14H20N4O2S — CID 110721365

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C14H20N4O2S/c1-11-14(12(2)16-15-11)21(19,20)18-9-5-13(6-10-18)17-7-3-4-8-17/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeyRFDGNPZJHVEUSX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.85
Rot. Bonds3

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine (PubChem CID 110721365) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
PubChem CID110721365
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C14H20N4O2S/c1-11-14(12(2)16-15-11)21(19,20)18-9-5-13(6-10-18)17-7-3-4-8-17/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeyRFDGNPZJHVEUSX-UHFFFAOYSA-N
XLogP1.85
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine 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

3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 126947247
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine
CID 82692274
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725900
3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 102962583
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342
4-[(4-chlorophenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 86704291

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine (CID 110721365) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(n2cccc2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine?
The InChIKey is RFDGNPZJHVEUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-14(12(2)16-15-11)21(19,20)18-9-5-13(6-10-18)17-7-3-4-8-17/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine has a molecular weight of 308.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine is sourced from PubChem (CID 110721365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).