[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone

C16H22ClN3O — CID 75138331

IUPAC[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)C1
InChIInChI=1S/C16H22ClN3O/c1-11-4-3-7-20(10-11)16(21)15-9-14(18-19-15)12-5-2-6-13(17)8-12/h2,5-6,8,11,14-15,18-19H,3-4,7,9-10H2,1H3
InChIKeyLQTFZXFOHLPFLJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.51
Rot. Bonds2

About [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone

[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 75138331) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID75138331
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)C1
InChIInChI=1S/C16H22ClN3O/c1-11-4-3-7-20(10-11)16(21)15-9-14(18-19-15)12-5-2-6-13(17)8-12/h2,5-6,8,11,14-15,18-19H,3-4,7,9-10H2,1H3
InChIKeyLQTFZXFOHLPFLJ-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 75194487
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 75255128
2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 75270685
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 52989524
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
CID 75270681
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 75194160
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 75138331) is [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)C1.
What is the InChIKey of [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LQTFZXFOHLPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11-4-3-7-20(10-11)16(21)15-9-14(18-19-15)12-5-2-6-13(17)8-12/h2,5-6,8,11,14-15,18-19H,3-4,7,9-10H2,1H3.
What are the key properties of [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 307.82 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 75138331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).