1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one

C14H24N4O — CID 71943649

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)CN1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C14H24N4O/c1-13(2)12-16-8-10-17(11-9-16)14(19)4-7-18-6-3-5-15-18/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyUQPJDSJLZGZORG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.07
Rot. Bonds5

About 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 71943649) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID71943649
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)CN1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C14H24N4O/c1-13(2)12-16-8-10-17(11-9-16)14(19)4-7-18-6-3-5-15-18/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyUQPJDSJLZGZORG-UHFFFAOYSA-N
XLogP1.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 71943649) is 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one is CC(C)CN1CCN(C(=O)CCn2cccn2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is UQPJDSJLZGZORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(2)12-16-8-10-17(11-9-16)14(19)4-7-18-6-3-5-15-18/h3,5-6,13H,4,7-12H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 71943649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).