N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine

C17H25N5 — CID 59511166

IUPACN,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine
SMILESCN(C)CCn1cc(N2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-20(2)12-13-22-14-16(21-10-8-18-9-11-21)17(19-22)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyYKPKLEUOYDWKEI-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.52
Rot. Bonds5

About N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine

N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine (PubChem CID 59511166) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine
PubChem CID59511166
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine
SMILESCN(C)CCn1cc(N2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-20(2)12-13-22-14-16(21-10-8-18-9-11-21)17(19-22)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyYKPKLEUOYDWKEI-UHFFFAOYSA-N
XLogP1.52
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine (CID 59511166) is N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine is CN(C)CCn1cc(N2CCNCC2)c(-c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine?
The InChIKey is YKPKLEUOYDWKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-20(2)12-13-22-14-16(21-10-8-18-9-11-21)17(19-22)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine?
N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine has a molecular weight of 299.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 59511166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).