[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

C18H31N5O2 — CID 75438499

IUPAC[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1nn(C)c(CC)c1CN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N5O2/c1-4-16-15(17(5-2)20(3)19-16)14-21-6-8-22(9-7-21)18(24)23-10-12-25-13-11-23/h4-14H2,1-3H3
InChIKeyWVHOFUQGFPDZSK-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.11
Rot. Bonds4

About [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 75438499) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID75438499
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1nn(C)c(CC)c1CN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N5O2/c1-4-16-15(17(5-2)20(3)19-16)14-21-6-8-22(9-7-21)18(24)23-10-12-25-13-11-23/h4-14H2,1-3H3
InChIKeyWVHOFUQGFPDZSK-UHFFFAOYSA-N
XLogP1.11
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 75438499) is [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is CCc1nn(C)c(CC)c1CN1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WVHOFUQGFPDZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-16-15(17(5-2)20(3)19-16)14-21-6-8-22(9-7-21)18(24)23-10-12-25-13-11-23/h4-14H2,1-3H3.
What are the key properties of [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 349.48 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75438499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).