4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one

C11H18N2O2 — CID 114663497

IUPAC4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one
SMILESCOc1cnn(C(C)C)c1CCC(C)=O
InChIInChI=1S/C11H18N2O2/c1-8(2)13-10(6-5-9(3)14)11(15-4)7-12-13/h7-8H,5-6H2,1-4H3
InChIKeyQMIUXOJLQPXRME-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.99
Rot. Bonds5

About 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one

4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one (PubChem CID 114663497) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one
PubChem CID114663497
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one
SMILESCOc1cnn(C(C)C)c1CCC(C)=O
InChIInChI=1S/C11H18N2O2/c1-8(2)13-10(6-5-9(3)14)11(15-4)7-12-13/h7-8H,5-6H2,1-4H3
InChIKeyQMIUXOJLQPXRME-UHFFFAOYSA-N
XLogP1.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol
CID 114664968
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652068
5-(3-bromohexyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665415
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-3-amine
CID 114664319
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
CID 114671003
2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114642687
2-(diethylamino)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641077
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)but-2-en-1-one
CID 103447455
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one?
The IUPAC name of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one (CID 114663497) is 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one is COc1cnn(C(C)C)c1CCC(C)=O.
What is the InChIKey of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one?
The InChIKey is QMIUXOJLQPXRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)13-10(6-5-9(3)14)11(15-4)7-12-13/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one?
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one is sourced from PubChem (CID 114663497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).