[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone

C15H20ClN3O — CID 74623681

IUPAC[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2Cl)NN1)N1CCCCC1
InChIInChI=1S/C15H20ClN3O/c16-12-7-3-2-6-11(12)13-10-14(18-17-13)15(20)19-8-4-1-5-9-19/h2-3,6-7,13-14,17-18H,1,4-5,8-10H2
InChIKeyNOEXNZPHVONISE-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.26
Rot. Bonds2

About [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone

[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 74623681) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID74623681
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2Cl)NN1)N1CCCCC1
InChIInChI=1S/C15H20ClN3O/c16-12-7-3-2-6-11(12)13-10-14(18-17-13)15(20)19-8-4-1-5-9-19/h2-3,6-7,13-14,17-18H,1,4-5,8-10H2
InChIKeyNOEXNZPHVONISE-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
CID 75255093
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate
CID 75138329
[5-(2-chlorophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 74623758
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
CID 75254788
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone (CID 74623681) is [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CC(c2ccccc2Cl)NN1)N1CCCCC1.
What is the InChIKey of [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is NOEXNZPHVONISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-7-3-2-6-11(12)13-10-14(18-17-13)15(20)19-8-4-1-5-9-19/h2-3,6-7,13-14,17-18H,1,4-5,8-10H2.
What are the key properties of [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone?
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 293.80 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74623681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).