(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone

C17H23N5O2 — CID 53185138

IUPAC(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCN(Cc2ccc(OC)nc2)CC1
InChIInChI=1S/C17H23N5O2/c1-3-22-15(6-7-19-22)17(23)21-10-8-20(9-11-21)13-14-4-5-16(24-2)18-12-14/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyJUKOWPADNGJIAH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.26
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 53185138) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID53185138
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCN(Cc2ccc(OC)nc2)CC1
InChIInChI=1S/C17H23N5O2/c1-3-22-15(6-7-19-22)17(23)21-10-8-20(9-11-21)13-14-4-5-16(24-2)18-12-14/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyJUKOWPADNGJIAH-UHFFFAOYSA-N
XLogP1.26
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone 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-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone (CID 53185138) is (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone is CCn1nccc1C(=O)N1CCN(Cc2ccc(OC)nc2)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is JUKOWPADNGJIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-15(6-7-19-22)17(23)21-10-8-20(9-11-21)13-14-4-5-16(24-2)18-12-14/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53185138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).