[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C13H22N4O3 — CID 71783270

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C13H22N4O3/c1-10(18)8-16-4-6-17(7-5-16)13(19)11-9-15(2)14-12(11)20-3/h9-10,18H,4-8H2,1-3H3
InChIKeyFUOWJYBVPUXFHI-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.43
Rot. Bonds4

About [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 71783270) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID71783270
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C13H22N4O3/c1-10(18)8-16-4-6-17(7-5-16)13(19)11-9-15(2)14-12(11)20-3/h9-10,18H,4-8H2,1-3H3
InChIKeyFUOWJYBVPUXFHI-UHFFFAOYSA-N
XLogP-0.43
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 71783270) is [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCN(CC(C)O)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is FUOWJYBVPUXFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(18)8-16-4-6-17(7-5-16)13(19)11-9-15(2)14-12(11)20-3/h9-10,18H,4-8H2,1-3H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 71783270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).