(1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C16H22N6O — CID 56817102

IUPAC(1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C
InChIInChI=1S/C16H22N6O/c1-3-4-14-13(11-19-20(14)2)16(23)22-9-7-21(8-10-22)15-12-17-5-6-18-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyLNZARLSRASAROR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.12
Rot. Bonds4

About (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 56817102) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID56817102
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C
InChIInChI=1S/C16H22N6O/c1-3-4-14-13(11-19-20(14)2)16(23)22-9-7-21(8-10-22)15-12-17-5-6-18-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyLNZARLSRASAROR-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 56817102) is (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C.
What is the InChIKey of (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LNZARLSRASAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-4-14-13(11-19-20(14)2)16(23)22-9-7-21(8-10-22)15-12-17-5-6-18-15/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56817102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).