(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

C13H22N4O2 — CID 16925366

IUPAC(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-17-10-11(12(14-17)19-5-2)13(18)16-8-6-15(3)7-9-16/h10H,4-9H2,1-3H3
InChIKeyJJATVDRZPUUFDJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.69
Rot. Bonds4

About (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 16925366) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID16925366
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-17-10-11(12(14-17)19-5-2)13(18)16-8-6-15(3)7-9-16/h10H,4-9H2,1-3H3
InChIKeyJJATVDRZPUUFDJ-UHFFFAOYSA-N
XLogP0.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 16925366) is (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone is CCOc1nn(CC)cc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JJATVDRZPUUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-10-11(12(14-17)19-5-2)13(18)16-8-6-15(3)7-9-16/h10H,4-9H2,1-3H3.
What are the key properties of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 16925366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).