1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine

C15H26N4O — CID 74248427

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine
SMILESCCn1cc(CN2CCN(C3CCOCC3)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-2-19-13-14(11-16-19)12-17-5-7-18(8-6-17)15-3-9-20-10-4-15/h11,13,15H,2-10,12H2,1H3
InChIKeyJQXAXHAXTZMZGV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.20
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine

1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine (PubChem CID 74248427) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine
PubChem CID74248427
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine
SMILESCCn1cc(CN2CCN(C3CCOCC3)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-2-19-13-14(11-16-19)12-17-5-7-18(8-6-17)15-3-9-20-10-4-15/h11,13,15H,2-10,12H2,1H3
InChIKeyJQXAXHAXTZMZGV-UHFFFAOYSA-N
XLogP1.20
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine (CID 74248427) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine is CCn1cc(CN2CCN(C3CCOCC3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine?
The InChIKey is JQXAXHAXTZMZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-19-13-14(11-16-19)12-17-5-7-18(8-6-17)15-3-9-20-10-4-15/h11,13,15H,2-10,12H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine has a molecular weight of 278.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 74248427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).