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

C20H23N3S — CID 10497179

IUPAC1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3S/c1-2-5-16(6-3-1)8-11-23-12-9-17(10-13-23)18-15-19(22-21-18)20-7-4-14-24-20/h1-7,14-15,17H,8-13H2,(H,21,22)
InChIKeyRQRBGNHBNQYSEI-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.56
Rot. Bonds5

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

1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 10497179) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID10497179
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3S/c1-2-5-16(6-3-1)8-11-23-12-9-17(10-13-23)18-15-19(22-21-18)20-7-4-14-24-20/h1-7,14-15,17H,8-13H2,(H,21,22)
InChIKeyRQRBGNHBNQYSEI-UHFFFAOYSA-N
XLogP4.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4,4,4-trifluoro-1-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine (CID 10497179) is 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine is c1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is RQRBGNHBNQYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-2-5-16(6-3-1)8-11-23-12-9-17(10-13-23)18-15-19(22-21-18)20-7-4-14-24-20/h1-7,14-15,17H,8-13H2,(H,21,22).
What are the key properties of 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 337.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 10497179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).