2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C16H26N4O2 — CID 56802676

IUPAC2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cnn(CC2CCCN2C(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H26N4O2/c1-13-10-17-19(11-13)12-15-4-3-5-20(15)14(2)16(21)18-6-8-22-9-7-18/h10-11,14-15H,3-9,12H2,1-2H3
InChIKeyZSLQSKYYBBSIEQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.90
Rot. Bonds4

About 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 56802676) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID56802676
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cnn(CC2CCCN2C(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H26N4O2/c1-13-10-17-19(11-13)12-15-4-3-5-20(15)14(2)16(21)18-6-8-22-9-7-18/h10-11,14-15H,3-9,12H2,1-2H3
InChIKeyZSLQSKYYBBSIEQ-UHFFFAOYSA-N
XLogP0.90
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 56802676) is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1cnn(CC2CCCN2C(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZSLQSKYYBBSIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-10-17-19(11-13)12-15-4-3-5-20(15)14(2)16(21)18-6-8-22-9-7-18/h10-11,14-15H,3-9,12H2,1-2H3.
What are the key properties of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56802676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).