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

C13H17N3S — CID 58817572

IUPAC1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCN1CCC(c2cc(-c3cccs3)n[nH]2)CC1
InChIInChI=1S/C13H17N3S/c1-16-6-4-10(5-7-16)11-9-12(15-14-11)13-3-2-8-17-13/h2-3,8-10H,4-7H2,1H3,(H,14,15)
InChIKeyVWBYMDLDMOLMMB-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.95
Rot. Bonds2

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

1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 58817572) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID58817572
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCN1CCC(c2cc(-c3cccs3)n[nH]2)CC1
InChIInChI=1S/C13H17N3S/c1-16-6-4-10(5-7-16)11-9-12(15-14-11)13-3-2-8-17-13/h2-3,8-10H,4-7H2,1H3,(H,14,15)
InChIKeyVWBYMDLDMOLMMB-UHFFFAOYSA-N
XLogP2.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine (CID 58817572) is 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine is CN1CCC(c2cc(-c3cccs3)n[nH]2)CC1.
What is the InChIKey of 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is VWBYMDLDMOLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16-6-4-10(5-7-16)11-9-12(15-14-11)13-3-2-8-17-13/h2-3,8-10H,4-7H2,1H3,(H,14,15).
What are the key properties of 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine?
1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 247.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 58817572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).