1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine

C24H25N3S — CID 22911509

IUPAC1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc2c(CCN3CCC(c4cc(-c5ccsc5)n[nH]4)CC3)cccc2c1
InChIInChI=1S/C24H25N3S/c1-2-7-22-18(4-1)5-3-6-19(22)8-12-27-13-9-20(10-14-27)23-16-24(26-25-23)21-11-15-28-17-21/h1-7,11,15-17,20H,8-10,12-14H2,(H,25,26)
InChIKeyZPYOFAKHHWUWEM-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.71
Rot. Bonds5

About 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine

1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 22911509) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
PubChem CID22911509
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC Name1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc2c(CCN3CCC(c4cc(-c5ccsc5)n[nH]4)CC3)cccc2c1
InChIInChI=1S/C24H25N3S/c1-2-7-22-18(4-1)5-3-6-19(22)8-12-27-13-9-20(10-14-27)23-16-24(26-25-23)21-11-15-28-17-21/h1-7,11,15-17,20H,8-10,12-14H2,(H,25,26)
InChIKeyZPYOFAKHHWUWEM-UHFFFAOYSA-N
XLogP5.71
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
CID 22911520
5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole
CID 172892736
3-[2-[4-[3-(3,4-dihydro-1,2-benzodioxin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1H-indole
CID 22911485
1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 4318406
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114507
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243
2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177261
3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10333441
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide
CID 90762987
2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 126836431

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine (CID 22911509) is 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine is c1ccc2c(CCN3CCC(c4cc(-c5ccsc5)n[nH]4)CC3)cccc2c1.
What is the InChIKey of 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is ZPYOFAKHHWUWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3S/c1-2-7-22-18(4-1)5-3-6-19(22)8-12-27-13-9-20(10-14-27)23-16-24(26-25-23)21-11-15-28-17-21/h1-7,11,15-17,20H,8-10,12-14H2,(H,25,26).
What are the key properties of 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine?
1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 387.55 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 22911509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).