5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one

C9H16N4O — CID 83847703

IUPAC5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESCN1CCNC(Cc2cc(=O)[nH][nH]2)C1
InChIInChI=1S/C9H16N4O/c1-13-3-2-10-8(6-13)4-7-5-9(14)12-11-7/h5,8,10H,2-4,6H2,1H3,(H2,11,12,14)
InChIKeyYQMVFPDBMCWOFZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.85
Rot. Bonds2

About 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one

5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 83847703) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
PubChem CID83847703
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESCN1CCNC(Cc2cc(=O)[nH][nH]2)C1
InChIInChI=1S/C9H16N4O/c1-13-3-2-10-8(6-13)4-7-5-9(14)12-11-7/h5,8,10H,2-4,6H2,1H3,(H2,11,12,14)
InChIKeyYQMVFPDBMCWOFZ-UHFFFAOYSA-N
XLogP-0.85
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one
CID 83856633
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
CID 117029785
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methylpiperazine
CID 116991840
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one (CID 83847703) is 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one is CN1CCNC(Cc2cc(=O)[nH][nH]2)C1.
What is the InChIKey of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is YQMVFPDBMCWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-3-2-10-8(6-13)4-7-5-9(14)12-11-7/h5,8,10H,2-4,6H2,1H3,(H2,11,12,14).
What are the key properties of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one?
5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 196.25 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 83847703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).