[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

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Related Compounds

[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 74787354
1-[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 75102256
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 42532864
cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
CID 74500551
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565

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).