1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine

C13H24N4 — CID 23005910

IUPAC1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
SMILESCCn1nc(C)c(CCN2CCNCC2)c1C
InChIInChI=1S/C13H24N4/c1-4-17-12(3)13(11(2)15-17)5-8-16-9-6-14-7-10-16/h14H,4-10H2,1-3H3
InChIKeyOOPHDBNHXUZHMH-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.97
Rot. Bonds4

About 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine

1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine (PubChem CID 23005910) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
PubChem CID23005910
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
SMILESCCn1nc(C)c(CCN2CCNCC2)c1C
InChIInChI=1S/C13H24N4/c1-4-17-12(3)13(11(2)15-17)5-8-16-9-6-14-7-10-16/h14H,4-10H2,1-3H3
InChIKeyOOPHDBNHXUZHMH-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine
CID 117124669
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318
2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906461
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]azepane
CID 113443139
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
3,5-dimethyl-1-(2-piperazin-1-ylethyl)pyrazole-4-carboxylic acid
CID 82513910
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 71689005
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
CID 84801861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine (CID 23005910) is 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine is CCn1nc(C)c(CCN2CCNCC2)c1C.
What is the InChIKey of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine?
The InChIKey is OOPHDBNHXUZHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17-12(3)13(11(2)15-17)5-8-16-9-6-14-7-10-16/h14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine?
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 23005910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).