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

C15H28N4 — CID 64845272

IUPAC2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
SMILESCCC(CC)n1ccc(CN2CC(C)NCC2C)n1
InChIInChI=1S/C15H28N4/c1-5-15(6-2)19-8-7-14(17-19)11-18-10-12(3)16-9-13(18)4/h7-8,12-13,15-16H,5-6,9-11H2,1-4H3
InChIKeyLNAKILZWMRVXQN-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.43
Rot. Bonds5

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

2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 64845272) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
PubChem CID64845272
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
SMILESCCC(CC)n1ccc(CN2CC(C)NCC2C)n1
InChIInChI=1S/C15H28N4/c1-5-15(6-2)19-8-7-14(17-19)11-18-10-12(3)16-9-13(18)4/h7-8,12-13,15-16H,5-6,9-11H2,1-4H3
InChIKeyLNAKILZWMRVXQN-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
CID 120906075
3,7-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64871956
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
4,4-dimethyl-5-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244229
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
2-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106744899
1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906038
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
CID 64777692
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66051676

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine (CID 64845272) is 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine is CCC(CC)n1ccc(CN2CC(C)NCC2C)n1.
What is the InChIKey of 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is LNAKILZWMRVXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-15(6-2)19-8-7-14(17-19)11-18-10-12(3)16-9-13(18)4/h7-8,12-13,15-16H,5-6,9-11H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine?
2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 64845272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).