1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine

C20H23N3S — CID 1488673

IUPAC1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(CN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3S/c1-15-4-6-16(7-5-15)14-23-10-8-17(9-11-23)18-13-19(22-21-18)20-3-2-12-24-20/h2-7,12-13,17H,8-11,14H2,1H3,(H,21,22)
InChIKeyQWKVLFDZMMXCIJ-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.83
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine

1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 1488673) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID1488673
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(CN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3S/c1-15-4-6-16(7-5-15)14-23-10-8-17(9-11-23)18-13-19(22-21-18)20-3-2-12-24-20/h2-7,12-13,17H,8-11,14H2,1H3,(H,21,22)
InChIKeyQWKVLFDZMMXCIJ-UHFFFAOYSA-N
XLogP4.83
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine (CID 1488673) is 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine is Cc1ccc(CN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is QWKVLFDZMMXCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-15-4-6-16(7-5-15)14-23-10-8-17(9-11-23)18-13-19(22-21-18)20-3-2-12-24-20/h2-7,12-13,17H,8-11,14H2,1H3,(H,21,22).
What are the key properties of 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 337.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 1488673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).