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

C16H22N4 — CID 20983039

IUPAC2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)c(N2CCCC2)c1CCN
InChIInChI=1S/C16H22N4/c1-13-15(9-10-17)16(19-11-5-6-12-19)20(18-13)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12,17H2,1H3
InChIKeyFZHBDHVUYVVRRO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.28
Rot. Bonds4

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

2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine (PubChem CID 20983039) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
PubChem CID20983039
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)c(N2CCCC2)c1CCN
InChIInChI=1S/C16H22N4/c1-13-15(9-10-17)16(19-11-5-6-12-19)20(18-13)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12,17H2,1H3
InChIKeyFZHBDHVUYVVRRO-UHFFFAOYSA-N
XLogP2.28
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.28
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-pyrrolidin-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine (CID 20983039) is 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine is Cc1nn(-c2ccccc2)c(N2CCCC2)c1CCN.
What is the InChIKey of 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is FZHBDHVUYVVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-15(9-10-17)16(19-11-5-6-12-19)20(18-13)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12,17H2,1H3.
What are the key properties of 2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine?
2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.28, 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-pyrrolidin-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 20983039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).