1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine

C14H24N4O — CID 95857242

IUPAC1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine
SMILESC=Cn1ncc(CN2CCN(CCOC)CC2)c1C
InChIInChI=1S/C14H24N4O/c1-4-18-13(2)14(11-15-18)12-17-7-5-16(6-8-17)9-10-19-3/h4,11H,1,5-10,12H2,2-3H3
InChIKeyYNVHDENFSJEPJF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.06
Rot. Bonds6

About 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine

1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine (PubChem CID 95857242) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine
PubChem CID95857242
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine
SMILESC=Cn1ncc(CN2CCN(CCOC)CC2)c1C
InChIInChI=1S/C14H24N4O/c1-4-18-13(2)14(11-15-18)12-17-7-5-16(6-8-17)9-10-19-3/h4,11H,1,5-10,12H2,2-3H3
InChIKeyYNVHDENFSJEPJF-UHFFFAOYSA-N
XLogP1.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine (CID 95857242) is 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine is C=Cn1ncc(CN2CCN(CCOC)CC2)c1C.
What is the InChIKey of 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is YNVHDENFSJEPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18-13(2)14(11-15-18)12-17-7-5-16(6-8-17)9-10-19-3/h4,11H,1,5-10,12H2,2-3H3.
What are the key properties of 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine?
1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 264.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 95857242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).