1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

C15H20N4O2 — CID 75508325

IUPAC1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCn1cccc1C1COCCN1C(=O)CCn1cccn1
InChIInChI=1S/C15H20N4O2/c1-17-7-2-4-13(17)14-12-21-11-10-19(14)15(20)5-9-18-8-3-6-16-18/h2-4,6-8,14H,5,9-12H2,1H3
InChIKeyYRVQCFNCDWZAAF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.21
Rot. Bonds4

About 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 75508325) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID75508325
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCn1cccc1C1COCCN1C(=O)CCn1cccn1
InChIInChI=1S/C15H20N4O2/c1-17-7-2-4-13(17)14-12-21-11-10-19(14)15(20)5-9-18-8-3-6-16-18/h2-4,6-8,14H,5,9-12H2,1H3
InChIKeyYRVQCFNCDWZAAF-UHFFFAOYSA-N
XLogP1.21
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (CID 75508325) is 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is Cn1cccc1C1COCCN1C(=O)CCn1cccn1.
What is the InChIKey of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is YRVQCFNCDWZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-7-2-4-13(17)14-12-21-11-10-19(14)15(20)5-9-18-8-3-6-16-18/h2-4,6-8,14H,5,9-12H2,1H3.
What are the key properties of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 75508325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).