(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H20N6O — CID 110681727

IUPAC(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C15H20N6O/c1-3-21-12(2)11-13(18-21)14(22)19-7-9-20(10-8-19)15-16-5-4-6-17-15/h4-6,11H,3,7-10H2,1-2H3
InChIKeyDRGSNIFBNCGBRB-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.96
Rot. Bonds3

About (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110681727) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110681727
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C15H20N6O/c1-3-21-12(2)11-13(18-21)14(22)19-7-9-20(10-8-19)15-16-5-4-6-17-15/h4-6,11H,3,7-10H2,1-2H3
InChIKeyDRGSNIFBNCGBRB-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 121066958
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110373321
1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 110681708
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91959892
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110336780
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110681727) is (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCn1nc(C(=O)N2CCN(c3ncccn3)CC2)cc1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DRGSNIFBNCGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-21-12(2)11-13(18-21)14(22)19-7-9-20(10-8-19)15-16-5-4-6-17-15/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110681727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).