2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine

C16H30N6 — CID 126576312

IUPAC2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCCN1CCNCC1C1CNC(Cc2cc(C)[nH]n2)CN1C
InChIInChI=1S/C16H30N6/c1-4-22-6-5-17-9-16(22)15-10-18-14(11-21(15)3)8-13-7-12(2)19-20-13/h7,14-18H,4-6,8-11H2,1-3H3,(H,19,20)
InChIKeyCMNCYBYAIRFPQW-UHFFFAOYSA-N
MW306.46 g/mol
LogP-0.17
Rot. Bonds4

About 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine

2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine (PubChem CID 126576312) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
PubChem CID126576312
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCCN1CCNCC1C1CNC(Cc2cc(C)[nH]n2)CN1C
InChIInChI=1S/C16H30N6/c1-4-22-6-5-17-9-16(22)15-10-18-14(11-21(15)3)8-13-7-12(2)19-20-13/h7,14-18H,4-6,8-11H2,1-3H3,(H,19,20)
InChIKeyCMNCYBYAIRFPQW-UHFFFAOYSA-N
XLogP-0.17
TPSA59.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine (CID 126576312) is 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine is CCN1CCNCC1C1CNC(Cc2cc(C)[nH]n2)CN1C.
What is the InChIKey of 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The InChIKey is CMNCYBYAIRFPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-4-22-6-5-17-9-16(22)15-10-18-14(11-21(15)3)8-13-7-12(2)19-20-13/h7,14-18H,4-6,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine has a molecular weight of 306.46 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperazin-2-yl)-1-methyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 126576312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).