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

C12H14N2O2 — CID 103024085

IUPAC1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cnn(C)c2)o1
InChIInChI=1S/C12H14N2O2/c1-9-3-6-12(16-9)11(15)5-4-10-7-13-14(2)8-10/h3,6-8H,4-5H2,1-2H3
InChIKeyPWKUGJBIIJLLKI-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.14
Rot. Bonds4

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

1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103024085) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103024085
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cnn(C)c2)o1
InChIInChI=1S/C12H14N2O2/c1-9-3-6-12(16-9)11(15)5-4-10-7-13-14(2)8-10/h3,6-8H,4-5H2,1-2H3
InChIKeyPWKUGJBIIJLLKI-UHFFFAOYSA-N
XLogP2.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 106691371
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024061
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
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
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103024085) is 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cc1ccc(C(=O)CCc2cnn(C)c2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is PWKUGJBIIJLLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-3-6-12(16-9)11(15)5-4-10-7-13-14(2)8-10/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 218.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103024085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).