N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide

C19H28N4O2S — CID 131911046

IUPACN-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H28N4O2S/c1-2-13-23-19(10-11-20-23)26(24,25)21-12-15-22-14-6-9-18(16-22)17-7-4-3-5-8-17/h3-5,7-8,10-11,18,21H,2,6,9,12-16H2,1H3
InChIKeySYBRVXDNNXUDBS-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.45
Rot. Bonds8

About N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide

N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide (PubChem CID 131911046) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide
PubChem CID131911046
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H28N4O2S/c1-2-13-23-19(10-11-20-23)26(24,25)21-12-15-22-14-6-9-18(16-22)17-7-4-3-5-8-17/h3-5,7-8,10-11,18,21H,2,6,9,12-16H2,1H3
InChIKeySYBRVXDNNXUDBS-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide 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-phenyl-1-propylpiperidine
CID 12937946
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole
CID 126447347
3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
CID 72914852
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
3-[1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72875109
3-phenyl-1-propylsulfanylpiperidine
CID 130223294
1-[(1-ethylimidazol-2-yl)methyl]-1-methyl-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
CID 126427674

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide (CID 131911046) is N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)NCCN1CCCC(c2ccccc2)C1.
What is the InChIKey of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
The InChIKey is SYBRVXDNNXUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-2-13-23-19(10-11-20-23)26(24,25)21-12-15-22-14-6-9-18(16-22)17-7-4-3-5-8-17/h3-5,7-8,10-11,18,21H,2,6,9,12-16H2,1H3.
What are the key properties of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 131911046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).