1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine

C16H30N4 — CID 107464957

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine
SMILESCCc1nn(C)cc1N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C16H30N4/c1-7-13-16(10-19(6)18-13)20-9-14(11(2)3)17-8-15(20)12(4)5/h10-12,14-15,17H,7-9H2,1-6H3
InChIKeyDFOJSRBTJDXWGZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.44
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine

1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine (PubChem CID 107464957) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine
PubChem CID107464957
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine
SMILESCCc1nn(C)cc1N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C16H30N4/c1-7-13-16(10-19(6)18-13)20-9-14(11(2)3)17-8-15(20)12(4)5/h10-12,14-15,17H,7-9H2,1-6H3
InChIKeyDFOJSRBTJDXWGZ-UHFFFAOYSA-N
XLogP2.44
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine (CID 107464957) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine is CCc1nn(C)cc1N1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is DFOJSRBTJDXWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-13-16(10-19(6)18-13)20-9-14(11(2)3)17-8-15(20)12(4)5/h10-12,14-15,17H,7-9H2,1-6H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 107464957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).