1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C17H24N4O2 — CID 138026981

IUPAC1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCOCC2c2cccn2C)n1
InChIInChI=1S/C17H24N4O2/c1-13(2)21-8-6-14(18-21)11-17(22)20-9-10-23-12-16(20)15-5-4-7-19(15)3/h4-8,13,16H,9-12H2,1-3H3
InChIKeyKKVFNPQGFUWQSS-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.95
Rot. Bonds4

About 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 138026981) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID138026981
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCOCC2c2cccn2C)n1
InChIInChI=1S/C17H24N4O2/c1-13(2)21-8-6-14(18-21)11-17(22)20-9-10-23-12-16(20)15-5-4-7-19(15)3/h4-8,13,16H,9-12H2,1-3H3
InChIKeyKKVFNPQGFUWQSS-UHFFFAOYSA-N
XLogP1.95
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 75508325
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 86794071
(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one
CID 99825605
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 75523575
(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138023677
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785
1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 86794099
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 99631581
[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
CID 86803812

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 138026981) is 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)N2CCOCC2c2cccn2C)n1.
What is the InChIKey of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is KKVFNPQGFUWQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)21-8-6-14(18-21)11-17(22)20-9-10-23-12-16(20)15-5-4-7-19(15)3/h4-8,13,16H,9-12H2,1-3H3.
What are the key properties of 1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 316.41 g/mol, XLogP of 1.95, 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]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 138026981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).