1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine

C12H22N4 — CID 65418314

IUPAC1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine
SMILESCCn1cc(C(C)N2CCNC(C)C2)cn1
InChIInChI=1S/C12H22N4/c1-4-16-9-12(7-14-16)11(3)15-6-5-13-10(2)8-15/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyPTUIPBITONIOJD-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.26
Rot. Bonds3

About 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine

1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine (PubChem CID 65418314) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine
PubChem CID65418314
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine
SMILESCCn1cc(C(C)N2CCNC(C)C2)cn1
InChIInChI=1S/C12H22N4/c1-4-16-9-12(7-14-16)11(3)15-6-5-13-10(2)8-15/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyPTUIPBITONIOJD-UHFFFAOYSA-N
XLogP1.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81471476
3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81457622
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546798
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
2,5-diethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperazine
CID 64977920
3-[1-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 113284725
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
2-ethyl-1-(1-ethylpyrazol-4-yl)-5-methylpiperazine
CID 64939217
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063880

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine (CID 65418314) is 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine is CCn1cc(C(C)N2CCNC(C)C2)cn1.
What is the InChIKey of 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine?
The InChIKey is PTUIPBITONIOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-16-9-12(7-14-16)11(3)15-6-5-13-10(2)8-15/h7,9-11,13H,4-6,8H2,1-3H3.
What are the key properties of 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine?
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine has a molecular weight of 222.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 65418314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).