2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine

C13H24N4 — CID 64977800

IUPAC2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1CN(Cc2ccnn2C)C(CC)CN1
InChIInChI=1S/C13H24N4/c1-4-11-9-17(12(5-2)8-14-11)10-13-6-7-15-16(13)3/h6-7,11-12,14H,4-5,8-10H2,1-3H3
InChIKeySJTNQHAWIPBNHF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds4

About 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine

2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 64977800) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
PubChem CID64977800
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1CN(Cc2ccnn2C)C(CC)CN1
InChIInChI=1S/C13H24N4/c1-4-11-9-17(12(5-2)8-14-11)10-13-6-7-15-16(13)3/h6-7,11-12,14H,4-5,8-10H2,1-3H3
InChIKeySJTNQHAWIPBNHF-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
1-[(3,5-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64977817
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64842881
3-[(2,5-diethylpiperazin-1-yl)methyl]benzonitrile
CID 64977771
1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
CID 64979145
2,5-diethyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933750
2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 80606647
2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol
CID 79158630
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 64978654
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 64978673
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine (CID 64977800) is 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine is CCC1CN(Cc2ccnn2C)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is SJTNQHAWIPBNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-11-9-17(12(5-2)8-14-11)10-13-6-7-15-16(13)3/h6-7,11-12,14H,4-5,8-10H2,1-3H3.
What are the key properties of 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 64977800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).