2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one

C20H29N5O — CID 92585963

IUPAC2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C20H29N5O/c1-4-16(5-2)20(26)25-12-10-24(11-13-25)15-18-14-19(22-23(18)3)17-6-8-21-9-7-17/h6-9,14,16H,4-5,10-13,15H2,1-3H3
InChIKeyLBJSGRPPJUFASF-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.56
Rot. Bonds6

About 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one

2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 92585963) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
PubChem CID92585963
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C20H29N5O/c1-4-16(5-2)20(26)25-12-10-24(11-13-25)15-18-14-19(22-23(18)3)17-6-8-21-9-7-17/h6-9,14,16H,4-5,10-13,15H2,1-3H3
InChIKeyLBJSGRPPJUFASF-UHFFFAOYSA-N
XLogP2.56
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one (CID 92585963) is 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1.
What is the InChIKey of 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is LBJSGRPPJUFASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-16(5-2)20(26)25-12-10-24(11-13-25)15-18-14-19(22-23(18)3)17-6-8-21-9-7-17/h6-9,14,16H,4-5,10-13,15H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 355.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 92585963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).