1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

C11H11ClN2O2 — CID 106691371

IUPAC1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2ccc(Cl)o2)cn1
InChIInChI=1S/C11H11ClN2O2/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(12)16-10/h4-7H,2-3H2,1H3
InChIKeyYOMVGXAEERBWEV-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.48
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 106691371) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID106691371
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2ccc(Cl)o2)cn1
InChIInChI=1S/C11H11ClN2O2/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(12)16-10/h4-7H,2-3H2,1H3
InChIKeyYOMVGXAEERBWEV-UHFFFAOYSA-N
XLogP2.48
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085
1-(5-bromo-2-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024071
1-(4-bromo-3-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023937
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023893
1-(5-bromofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965218
1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 107967873
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(2,6-dichlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007346
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 106691371) is 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)c2ccc(Cl)o2)cn1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is YOMVGXAEERBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(12)16-10/h4-7H,2-3H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 238.67 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 106691371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).