1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride

C12H23ClN4 — CID 120906038

IUPAC1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCCn1nccc1CN1CC(C)NCC1C.Cl
InChIInChI=1S/C12H22N4.ClH/c1-4-16-12(5-6-14-16)9-15-8-10(2)13-7-11(15)3;/h5-6,10-11,13H,4,7-9H2,1-3H3;1H
InChIKeyRTLXAIZXEGZUGF-UHFFFAOYSA-N
MW258.80 g/mol
LogP1.51
Rot. Bonds3

About 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride

1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride (PubChem CID 120906038) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
PubChem CID120906038
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCCn1nccc1CN1CC(C)NCC1C.Cl
InChIInChI=1S/C12H22N4.ClH/c1-4-16-12(5-6-14-16)9-15-8-10(2)13-7-11(15)3;/h5-6,10-11,13H,4,7-9H2,1-3H3;1H
InChIKeyRTLXAIZXEGZUGF-UHFFFAOYSA-N
XLogP1.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908
1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 130719022
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
CID 64845272
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride
CID 120906103
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64937197
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
6-[(2-ethylpyrazol-3-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678285
1-[(2-ethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575226
methyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate
CID 64980769

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride (CID 120906038) is 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride is CCn1nccc1CN1CC(C)NCC1C.Cl.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The InChIKey is RTLXAIZXEGZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.ClH/c1-4-16-12(5-6-14-16)9-15-8-10(2)13-7-11(15)3;/h5-6,10-11,13H,4,7-9H2,1-3H3;1H.
What are the key properties of 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride?
1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride has a molecular weight of 258.80 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120906038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).