(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C15H20N6O2 — CID 94669112

IUPAC(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCOc1ccnc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-12(21-7-3-5-17-21)14(22)19-8-10-20(11-9-19)15-16-6-4-13(18-15)23-2/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1
InChIKeyLWVFPDFRLORVDP-LBPRGKRZSA-N
MW316.37 g/mol
LogP0.59
Rot. Bonds4

About (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 94669112) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID94669112
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCOc1ccnc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-12(21-7-3-5-17-21)14(22)19-8-10-20(11-9-19)15-16-6-4-13(18-15)23-2/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1
InChIKeyLWVFPDFRLORVDP-LBPRGKRZSA-N
XLogP0.59
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(2R)-1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 95289879
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 70726909
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10269857
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 60550304
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 60550124
(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94004421
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 94669112) is (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is COc1ccnc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)n1.
What is the InChIKey of (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is LWVFPDFRLORVDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12(21-7-3-5-17-21)14(22)19-8-10-20(11-9-19)15-16-6-4-13(18-15)23-2/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 316.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 94669112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).