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

C11H20N4 — CID 64771238

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCC(C)n1ccc(CN2CCNCC2)n1
InChIInChI=1S/C11H20N4/c1-10(2)15-6-3-11(13-15)9-14-7-4-12-5-8-14/h3,6,10,12H,4-5,7-9H2,1-2H3
InChIKeyJNLUHMABIKNLIS-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.87
Rot. Bonds3

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

1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 64771238) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
PubChem CID64771238
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCC(C)n1ccc(CN2CCNCC2)n1
InChIInChI=1S/C11H20N4/c1-10(2)15-6-3-11(13-15)9-14-7-4-12-5-8-14/h3,6,10,12H,4-5,7-9H2,1-2H3
InChIKeyJNLUHMABIKNLIS-UHFFFAOYSA-N
XLogP0.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64834620
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64772847
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933531
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
4-(2-bromoethoxy)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine
CID 82691245
[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 115824593
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine (CID 64771238) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine is CC(C)n1ccc(CN2CCNCC2)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is JNLUHMABIKNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2)15-6-3-11(13-15)9-14-7-4-12-5-8-14/h3,6,10,12H,4-5,7-9H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 64771238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).