5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride

C8H15Cl2N3O — CID 75421250

IUPAC5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride
SMILESCl.Cl.O=c1cc(C2CCNCC2)[nH][nH]1
InChIInChI=1S/C8H13N3O.2ClH/c12-8-5-7(10-11-8)6-1-3-9-4-2-6;;/h5-6,9H,1-4H2,(H2,10,11,12);2*1H
InChIKeyGWMYUQWFUZKEAF-UHFFFAOYSA-N
MW240.13 g/mol
LogP1.01
Rot. Bonds1

About 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride

5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride (PubChem CID 75421250) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride.

Molecular Properties

Compound Name5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride
PubChem CID75421250
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride
SMILESCl.Cl.O=c1cc(C2CCNCC2)[nH][nH]1
InChIInChI=1S/C8H13N3O.2ClH/c12-8-5-7(10-11-8)6-1-3-9-4-2-6;;/h5-6,9H,1-4H2,(H2,10,11,12);2*1H
InChIKeyGWMYUQWFUZKEAF-UHFFFAOYSA-N
XLogP1.01
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride?
The IUPAC name of 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride (CID 75421250) is 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride.
What is the SMILES notation for 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride?
The canonical SMILES for 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride is Cl.Cl.O=c1cc(C2CCNCC2)[nH][nH]1.
What is the InChIKey of 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride?
The InChIKey is GWMYUQWFUZKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c12-8-5-7(10-11-8)6-1-3-9-4-2-6;;/h5-6,9H,1-4H2,(H2,10,11,12);2*1H.
What are the key properties of 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride?
5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride is sourced from PubChem (CID 75421250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).