[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H26N4O2 — CID 110249131

IUPAC[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(CN2CCCC2(C)C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C16H26N4O2/c1-13-14(11-17-18(13)3)12-20-6-4-5-16(20,2)15(21)19-7-9-22-10-8-19/h11H,4-10,12H2,1-3H3
InChIKeyQCWXYMSNPQMDLW-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.94
Rot. Bonds3

About [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110249131) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110249131
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(CN2CCCC2(C)C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C16H26N4O2/c1-13-14(11-17-18(13)3)12-20-6-4-5-16(20,2)15(21)19-7-9-22-10-8-19/h11H,4-10,12H2,1-3H3
InChIKeyQCWXYMSNPQMDLW-UHFFFAOYSA-N
XLogP0.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110249131) is [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1c(CN2CCCC2(C)C(=O)N2CCOCC2)cnn1C.
What is the InChIKey of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QCWXYMSNPQMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-14(11-17-18(13)3)12-20-6-4-5-16(20,2)15(21)19-7-9-22-10-8-19/h11H,4-10,12H2,1-3H3.
What are the key properties of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 306.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110249131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).