3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine

C13H24N4 — CID 104869499

IUPAC3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
SMILESCC1CN(Cc2cnn(C(C)C)c2)CC(C)N1
InChIInChI=1S/C13H24N4/c1-10(2)17-9-13(5-14-17)8-16-6-11(3)15-12(4)7-16/h5,9-12,15H,6-8H2,1-4H3
InChIKeyUVTUMRHMOLRZQI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds3

About 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine

3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine (PubChem CID 104869499) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
PubChem CID104869499
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
SMILESCC1CN(Cc2cnn(C(C)C)c2)CC(C)N1
InChIInChI=1S/C13H24N4/c1-10(2)17-9-13(5-14-17)8-16-6-11(3)15-12(4)7-16/h5,9-12,15H,6-8H2,1-4H3
InChIKeyUVTUMRHMOLRZQI-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 124620281
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 166267858
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 74243129
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine (CID 104869499) is 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine is CC1CN(Cc2cnn(C(C)C)c2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
The InChIKey is UVTUMRHMOLRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)17-9-13(5-14-17)8-16-6-11(3)15-12(4)7-16/h5,9-12,15H,6-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 104869499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).