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

C14H26N4 — CID 82871948

IUPAC2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1CNC(C)(CC)CN1Cc1ccn(C)n1
InChIInChI=1S/C14H26N4/c1-5-13-9-15-14(3,6-2)11-18(13)10-12-7-8-17(4)16-12/h7-8,13,15H,5-6,9-11H2,1-4H3
InChIKeyINDPNVWTHORSCY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.77
Rot. Bonds4

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

2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82871948) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82871948
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1CNC(C)(CC)CN1Cc1ccn(C)n1
InChIInChI=1S/C14H26N4/c1-5-13-9-15-14(3,6-2)11-18(13)10-12-7-8-17(4)16-12/h7-8,13,15H,5-6,9-11H2,1-4H3
InChIKeyINDPNVWTHORSCY-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82871948) is 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is CCC1CNC(C)(CC)CN1Cc1ccn(C)n1.
What is the InChIKey of 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is INDPNVWTHORSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-13-9-15-14(3,6-2)11-18(13)10-12-7-8-17(4)16-12/h7-8,13,15H,5-6,9-11H2,1-4H3.
What are the key properties of 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 250.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82871948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).