(5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

C20H28N6O2 — CID 66748019

IUPAC(5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)ncn1
InChIInChI=1S/C20H28N6O2/c1-14(2)12-28-19-11-18(21-13-22-19)25-6-8-26(9-7-25)20(27)16-10-17(15-4-5-15)24(3)23-16/h10-11,13-15H,4-9,12H2,1-3H3
InChIKeyYYFSYTQQGRUBPI-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.08
Rot. Bonds6

About (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 66748019) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID66748019
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)ncn1
InChIInChI=1S/C20H28N6O2/c1-14(2)12-28-19-11-18(21-13-22-19)25-6-8-26(9-7-25)20(27)16-10-17(15-4-5-15)24(3)23-16/h10-11,13-15H,4-9,12H2,1-3H3
InChIKeyYYFSYTQQGRUBPI-UHFFFAOYSA-N
XLogP2.08
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 49025680
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56796323
[4-[6-(2-Methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 56651719
[4-[6-(2-Methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 56652073
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56652419
[4-(6-Cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 56654489
[1-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 66747843
[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 66748240
[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 66748270
[1-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 87133855
[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 87134000
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 89611702

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 66748019) is (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is CC(C)COc1cc(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)ncn1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is YYFSYTQQGRUBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14(2)12-28-19-11-18(21-13-22-19)25-6-8-26(9-7-25)20(27)16-10-17(15-4-5-15)24(3)23-16/h10-11,13-15H,4-9,12H2,1-3H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66748019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).