(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride

C12H17ClN2O — CID 86785444

IUPAC(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCN2)c(C)c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-4-5-11(10(2)8-9)12(15)14-7-3-6-13-14;/h4-5,8,13H,3,6-7H2,1-2H3;1H
InChIKeyJWOBJFNZBFDNSP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.08
Rot. Bonds1

About (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride

(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride (PubChem CID 86785444) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride
PubChem CID86785444
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCN2)c(C)c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-4-5-11(10(2)8-9)12(15)14-7-3-6-13-14;/h4-5,8,13H,3,6-7H2,1-2H3;1H
InChIKeyJWOBJFNZBFDNSP-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
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(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 171323393
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362304
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
CID 53165281
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride?
The IUPAC name of (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride (CID 86785444) is (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride is Cc1ccc(C(=O)N2CCCN2)c(C)c1.Cl.
What is the InChIKey of (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride?
The InChIKey is JWOBJFNZBFDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-9-4-5-11(10(2)8-9)12(15)14-7-3-6-13-14;/h4-5,8,13H,3,6-7H2,1-2H3;1H.
What are the key properties of (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride?
(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 86785444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).