2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride

C9H17Cl2N3O — CID 155973585

IUPAC2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride
SMILESCl.Cl.Cn1[nH]c(C2CCNCC2)cc1=O
InChIInChI=1S/C9H15N3O.2ClH/c1-12-9(13)6-8(11-12)7-2-4-10-5-3-7;;/h6-7,10-11H,2-5H2,1H3;2*1H
InChIKeyCYDWNFYBIHLCRJ-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.02
Rot. Bonds1

About 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride

2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride (PubChem CID 155973585) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride
PubChem CID155973585
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride
SMILESCl.Cl.Cn1[nH]c(C2CCNCC2)cc1=O
InChIInChI=1S/C9H15N3O.2ClH/c1-12-9(13)6-8(11-12)7-2-4-10-5-3-7;;/h6-7,10-11H,2-5H2,1H3;2*1H
InChIKeyCYDWNFYBIHLCRJ-UHFFFAOYSA-N
XLogP1.02
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(3R)-pyrrolidin-3-yl]-1H-pyrazol-3-one
CID 98104484
2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
CID 71298839
5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one
CID 146485610
5-piperidin-4-yl-1,2-dihydropyrazol-3-one;dihydrochloride
CID 75421250
5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one
CID 66022946
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
CID 168985367
5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 66020447
2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde
CID 83845349
5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430763
1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride
CID 158431188
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
CID 66022699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride?
The IUPAC name of 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride (CID 155973585) is 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride.
What is the SMILES notation for 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride?
The canonical SMILES for 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride is Cl.Cl.Cn1[nH]c(C2CCNCC2)cc1=O.
What is the InChIKey of 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride?
The InChIKey is CYDWNFYBIHLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-12-9(13)6-8(11-12)7-2-4-10-5-3-7;;/h6-7,10-11H,2-5H2,1H3;2*1H.
What are the key properties of 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride?
2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-yl-1H-pyrazol-3-one;dihydrochloride is sourced from PubChem (CID 155973585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).