1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine

C10H17ClN4 — CID 84792486

IUPAC1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine
SMILESCC(C)n1ncc(N2CCNCC2)c1Cl
InChIInChI=1S/C10H17ClN4/c1-8(2)15-10(11)9(7-13-15)14-5-3-12-4-6-14/h7-8,12H,3-6H2,1-2H3
InChIKeyDJQFOYWUFHNYEM-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.53
Rot. Bonds2

About 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine

1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine (PubChem CID 84792486) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine
PubChem CID84792486
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine
SMILESCC(C)n1ncc(N2CCNCC2)c1Cl
InChIInChI=1S/C10H17ClN4/c1-8(2)15-10(11)9(7-13-15)14-5-3-12-4-6-14/h7-8,12H,3-6H2,1-2H3
InChIKeyDJQFOYWUFHNYEM-UHFFFAOYSA-N
XLogP1.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine?
The IUPAC name of 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine (CID 84792486) is 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine is CC(C)n1ncc(N2CCNCC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine?
The InChIKey is DJQFOYWUFHNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8(2)15-10(11)9(7-13-15)14-5-3-12-4-6-14/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine?
1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine has a molecular weight of 228.73 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine is sourced from PubChem (CID 84792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).