4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride

C16H20Cl3N3O — CID 67462910

IUPAC4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride
SMILESCl.O=c1[nH]n(CCN2CCCCC2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O.ClH/c17-14-5-4-12(10-15(14)18)13-11-21(19-16(13)22)9-8-20-6-2-1-3-7-20;/h4-5,10-11H,1-3,6-9H2,(H,19,22);1H
InChIKeyAHJJDCBWITVRKN-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.06
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride

4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride (PubChem CID 67462910) has the molecular formula C16H20Cl3N3O and a molecular weight of 376.72 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride
PubChem CID67462910
Molecular FormulaC16H20Cl3N3O
Molecular Weight376.72 g/mol
Exact Mass375.07
IUPAC Name4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride
SMILESCl.O=c1[nH]n(CCN2CCCCC2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O.ClH/c17-14-5-4-12(10-15(14)18)13-11-21(19-16(13)22)9-8-20-6-2-1-3-7-20;/h4-5,10-11H,1-3,6-9H2,(H,19,22);1H
InChIKeyAHJJDCBWITVRKN-UHFFFAOYSA-N
XLogP4.06
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride (CID 67462910) is 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride is Cl.O=c1[nH]n(CCN2CCCCC2)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride?
The InChIKey is AHJJDCBWITVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O.ClH/c17-14-5-4-12(10-15(14)18)13-11-21(19-16(13)22)9-8-20-6-2-1-3-7-20;/h4-5,10-11H,1-3,6-9H2,(H,19,22);1H.
What are the key properties of 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride?
4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride has a molecular weight of 376.72 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one;hydrochloride is sourced from PubChem (CID 67462910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).