[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C21H27N5O — CID 75100032

IUPAC[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(C3NNCC3c3ccccc3C)C2)cn1
InChIInChI=1S/C21H27N5O/c1-14-6-3-4-8-17(14)18-11-24-25-20(18)16-7-5-9-26(13-16)21(27)19-12-22-15(2)10-23-19/h3-4,6,8,10,12,16,18,20,24-25H,5,7,9,11,13H2,1-2H3
InChIKeyUAGAKRCGYWOEBN-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.21
Rot. Bonds3

About [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 75100032) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID75100032
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(C3NNCC3c3ccccc3C)C2)cn1
InChIInChI=1S/C21H27N5O/c1-14-6-3-4-8-17(14)18-11-24-25-20(18)16-7-5-9-26(13-16)21(27)19-12-22-15(2)10-23-19/h3-4,6,8,10,12,16,18,20,24-25H,5,7,9,11,13H2,1-2H3
InChIKeyUAGAKRCGYWOEBN-UHFFFAOYSA-N
XLogP2.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-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 [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 75100032) is [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC(C3NNCC3c3ccccc3C)C2)cn1.
What is the InChIKey of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is UAGAKRCGYWOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-6-3-4-8-17(14)18-11-24-25-20(18)16-7-5-9-26(13-16)21(27)19-12-22-15(2)10-23-19/h3-4,6,8,10,12,16,18,20,24-25H,5,7,9,11,13H2,1-2H3.
What are the key properties of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 75100032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).