(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

C17H22N6O2 — CID 49025680

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)n1
InChIInChI=1S/C17H22N6O2/c1-21-15(12-3-4-12)13(11-19-21)16(24)22-7-9-23(10-8-22)17-18-6-5-14(20-17)25-2/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyHOAZQKOKYJTJRK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.06
Rot. Bonds4

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 49025680) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID49025680
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)n1
InChIInChI=1S/C17H22N6O2/c1-21-15(12-3-4-12)13(11-19-21)16(24)22-7-9-23(10-8-22)17-18-6-5-14(20-17)25-2/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyHOAZQKOKYJTJRK-UHFFFAOYSA-N
XLogP1.06
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (CID 49025680) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is COc1ccnc(N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)n1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HOAZQKOKYJTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-21-15(12-3-4-12)13(11-19-21)16(24)22-7-9-23(10-8-22)17-18-6-5-14(20-17)25-2/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 49025680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).