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

C20H28N6O2 — CID 66747837

IUPAC(3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3cc(C4CC4)nn3C)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)17-10-16(15-4-5-15)23-24(17)3/h10-11,13-15H,4-9,12H2,1-3H3
InChIKeyLILBBQXNHOYCFA-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.08
Rot. Bonds6

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

(3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 66747837) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID66747837
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3cc(C4CC4)nn3C)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)17-10-16(15-4-5-15)23-24(17)3/h10-11,13-15H,4-9,12H2,1-3H3
InChIKeyLILBBQXNHOYCFA-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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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 66747837) is (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is CC(C)COc1cc(N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)ncn1.
What is the InChIKey of (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is LILBBQXNHOYCFA-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)17-10-16(15-4-5-15)23-24(17)3/h10-11,13-15H,4-9,12H2,1-3H3.
What are the key properties of (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
(3-cyclopropyl-1-methylpyrazol-5-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 (3-cyclopropyl-1-methylpyrazol-5-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66747837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).