5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one

C12H14N6O2 — CID 112513842

IUPAC5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H14N6O2/c19-10-8-9(15-16-10)11(20)17-4-6-18(7-5-17)12-13-2-1-3-14-12/h1-3,8H,4-7H2,(H2,15,16,19)
InChIKeyDPIMFTVGQIECCG-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.54
Rot. Bonds2

About 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 112513842) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID112513842
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H14N6O2/c19-10-8-9(15-16-10)11(20)17-4-6-18(7-5-17)12-13-2-1-3-14-12/h1-3,8H,4-7H2,(H2,15,16,19)
InChIKeyDPIMFTVGQIECCG-UHFFFAOYSA-N
XLogP-0.54
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 4825839
4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701217
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)-1,4-dihydropyrazol-5-one
CID 154860513
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 112513842) is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one is O=C(c1cc(=O)[nH][nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is DPIMFTVGQIECCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-10-8-9(15-16-10)11(20)17-4-6-18(7-5-17)12-13-2-1-3-14-12/h1-3,8H,4-7H2,(H2,15,16,19).
What are the key properties of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 274.28 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 112513842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).