4-methyl-2-(2-phenylpyrazol-3-yl)piperidine

C15H19N3 — CID 107331171

IUPAC4-methyl-2-(2-phenylpyrazol-3-yl)piperidine
SMILESCC1CCNC(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H19N3/c1-12-7-9-16-14(11-12)15-8-10-17-18(15)13-5-3-2-4-6-13/h2-6,8,10,12,14,16H,7,9,11H2,1H3
InChIKeyWQULNGFYTFWLFZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.93
Rot. Bonds2

About 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine

4-methyl-2-(2-phenylpyrazol-3-yl)piperidine (PubChem CID 107331171) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name4-methyl-2-(2-phenylpyrazol-3-yl)piperidine
PubChem CID107331171
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-methyl-2-(2-phenylpyrazol-3-yl)piperidine
SMILESCC1CCNC(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H19N3/c1-12-7-9-16-14(11-12)15-8-10-17-18(15)13-5-3-2-4-6-13/h2-6,8,10,12,14,16H,7,9,11H2,1H3
InChIKeyWQULNGFYTFWLFZ-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine?
The IUPAC name of 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine (CID 107331171) is 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine.
What is the SMILES notation for 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine?
The canonical SMILES for 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine is CC1CCNC(c2ccnn2-c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine?
The InChIKey is WQULNGFYTFWLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-7-9-16-14(11-12)15-8-10-17-18(15)13-5-3-2-4-6-13/h2-6,8,10,12,14,16H,7,9,11H2,1H3.
What are the key properties of 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine?
4-methyl-2-(2-phenylpyrazol-3-yl)piperidine has a molecular weight of 241.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylpyrazol-3-yl)piperidine is sourced from PubChem (CID 107331171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).