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

C9H17Cl2N3O — CID 71298839

IUPAC2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
SMILESCl.Cl.Cn1[nH]c(C2CCCNC2)cc1=O
InChIInChI=1S/C9H15N3O.2ClH/c1-12-9(13)5-8(11-12)7-3-2-4-10-6-7;;/h5,7,10-11H,2-4,6H2,1H3;2*1H
InChIKeyFHVLPGQEOCJZDM-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.02
Rot. Bonds1

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

2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride (PubChem CID 71298839) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
PubChem CID71298839
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
SMILESCl.Cl.Cn1[nH]c(C2CCCNC2)cc1=O
InChIInChI=1S/C9H15N3O.2ClH/c1-12-9(13)5-8(11-12)7-3-2-4-10-6-7;;/h5,7,10-11H,2-4,6H2,1H3;2*1H
InChIKeyFHVLPGQEOCJZDM-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-4-yl-1H-pyrazol-3-one;dihydrochloride
CID 155973585
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
CID 115054616
2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one
CID 84658480
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666
5-cyclopropyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430772
5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430763
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
3-(2-propan-2-yl-1H-imidazol-5-yl)piperidine
CID 82656850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride?
The IUPAC name of 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride (CID 71298839) is 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride.
What is the SMILES notation for 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride?
The canonical SMILES for 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride is Cl.Cl.Cn1[nH]c(C2CCCNC2)cc1=O.
What is the InChIKey of 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride?
The InChIKey is FHVLPGQEOCJZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-12-9(13)5-8(11-12)7-3-2-4-10-6-7;;/h5,7,10-11H,2-4,6H2,1H3;2*1H.
What are the key properties of 2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride?
2-methyl-5-piperidin-3-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-3-yl-1H-pyrazol-3-one;dihydrochloride is sourced from PubChem (CID 71298839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).