1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine

C13H24N4 — CID 146647527

IUPAC1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCCc1cn(C(C)C)nc1CN1CCNCC1
InChIInChI=1S/C13H24N4/c1-4-12-9-17(11(2)3)15-13(12)10-16-7-5-14-6-8-16/h9,11,14H,4-8,10H2,1-3H3
InChIKeyRLWWJUIMJBMASH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.43
Rot. Bonds4

About 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine

1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 146647527) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine
PubChem CID146647527
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCCc1cn(C(C)C)nc1CN1CCNCC1
InChIInChI=1S/C13H24N4/c1-4-12-9-17(11(2)3)15-13(12)10-16-7-5-14-6-8-16/h9,11,14H,4-8,10H2,1-3H3
InChIKeyRLWWJUIMJBMASH-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine (CID 146647527) is 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine is CCc1cn(C(C)C)nc1CN1CCNCC1.
What is the InChIKey of 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is RLWWJUIMJBMASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-12-9-17(11(2)3)15-13(12)10-16-7-5-14-6-8-16/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 146647527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).