1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine

C11H19ClN4 — CID 84801861

IUPAC1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
SMILESCCn1ncc(CCN2CCNCC2)c1Cl
InChIInChI=1S/C11H19ClN4/c1-2-16-11(12)10(9-14-16)3-6-15-7-4-13-5-8-15/h9,13H,2-8H2,1H3
InChIKeyDTOSUBXPXXBQAW-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.00
Rot. Bonds4

About 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine

1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine (PubChem CID 84801861) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
PubChem CID84801861
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
SMILESCCn1ncc(CCN2CCNCC2)c1Cl
InChIInChI=1S/C11H19ClN4/c1-2-16-11(12)10(9-14-16)3-6-15-7-4-13-5-8-15/h9,13H,2-8H2,1H3
InChIKeyDTOSUBXPXXBQAW-UHFFFAOYSA-N
XLogP1.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(piperazin-1-ylmethyl)pyrazol-5-amine
CID 117216696
1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
CID 84810022
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467292
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 23005910
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
CID 84767030
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117466506
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
CID 117406196
1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
CID 84690273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine (CID 84801861) is 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine is CCn1ncc(CCN2CCNCC2)c1Cl.
What is the InChIKey of 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine?
The InChIKey is DTOSUBXPXXBQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-2-16-11(12)10(9-14-16)3-6-15-7-4-13-5-8-15/h9,13H,2-8H2,1H3.
What are the key properties of 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine?
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine has a molecular weight of 242.75 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 84801861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).