2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol

C15H20N4O — CID 117124655

IUPAC2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c(C)c1N1CCNCC1
InChIInChI=1S/C15H20N4O/c1-11-15(18-9-7-16-8-10-18)12(2)19(17-11)13-5-3-4-6-14(13)20/h3-6,16,20H,7-10H2,1-2H3
InChIKeyDLTVIPDPIZTZJO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.60
Rot. Bonds2

About 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol

2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol (PubChem CID 117124655) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol
PubChem CID117124655
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c(C)c1N1CCNCC1
InChIInChI=1S/C15H20N4O/c1-11-15(18-9-7-16-8-10-18)12(2)19(17-11)13-5-3-4-6-14(13)20/h3-6,16,20H,7-10H2,1-2H3
InChIKeyDLTVIPDPIZTZJO-UHFFFAOYSA-N
XLogP1.60
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazolidin-1-ylphenol
CID 159561715
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine
CID 117124669
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
4,5-dimethyl-2-piperazin-1-ylphenol
CID 82610692
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 105485759
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)piperazine
CID 117124667
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
CID 142156439
3-chloro-2-piperazin-1-ylphenol
CID 84679423

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol?
The IUPAC name of 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol (CID 117124655) is 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol.
What is the SMILES notation for 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol?
The canonical SMILES for 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol is Cc1nn(-c2ccccc2O)c(C)c1N1CCNCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol?
The InChIKey is DLTVIPDPIZTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-15(18-9-7-16-8-10-18)12(2)19(17-11)13-5-3-4-6-14(13)20/h3-6,16,20H,7-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol?
2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol has a molecular weight of 272.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol is sourced from PubChem (CID 117124655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).