2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine

C17H24N4 — CID 20983040

IUPAC2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1CCN
InChIInChI=1S/C17H24N4/c1-14-16(10-11-18)17(20-12-6-3-7-13-20)21(19-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13,18H2,1H3
InChIKeyAUXUOSBNPOHAPZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine

2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine (PubChem CID 20983040) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
PubChem CID20983040
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1CCN
InChIInChI=1S/C17H24N4/c1-14-16(10-11-18)17(20-12-6-3-7-13-20)21(19-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13,18H2,1H3
InChIKeyAUXUOSBNPOHAPZ-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine (CID 20983040) is 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1CCN.
What is the InChIKey of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is AUXUOSBNPOHAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-16(10-11-18)17(20-12-6-3-7-13-20)21(19-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13,18H2,1H3.
What are the key properties of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 20983040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).