[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

C15H25N5O2 — CID 75438496

IUPAC[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCn1cc(CN2CCN(C(=O)N3CCOCC3)CC2)cn1
InChIInChI=1S/C15H25N5O2/c1-2-20-13-14(11-16-20)12-17-3-5-18(6-4-17)15(21)19-7-9-22-10-8-19/h11,13H,2-10,12H2,1H3
InChIKeyCOMHRAMMZOFIFO-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.47
Rot. Bonds3

About [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 75438496) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID75438496
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCn1cc(CN2CCN(C(=O)N3CCOCC3)CC2)cn1
InChIInChI=1S/C15H25N5O2/c1-2-20-13-14(11-16-20)12-17-3-5-18(6-4-17)15(21)19-7-9-22-10-8-19/h11,13H,2-10,12H2,1H3
InChIKeyCOMHRAMMZOFIFO-UHFFFAOYSA-N
XLogP0.47
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 75438496) is [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is CCn1cc(CN2CCN(C(=O)N3CCOCC3)CC2)cn1.
What is the InChIKey of [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is COMHRAMMZOFIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-2-20-13-14(11-16-20)12-17-3-5-18(6-4-17)15(21)19-7-9-22-10-8-19/h11,13H,2-10,12H2,1H3.
What are the key properties of [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 307.40 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75438496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).