(3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone

C11H12N2O2 — CID 695657

IUPAC(3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccoc2C)n1
InChIInChI=1S/C11H12N2O2/c1-7-6-8(2)13(12-7)11(14)10-4-5-15-9(10)3/h4-6H,1-3H3
InChIKeyBOHGQBCPMMXTHJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.09
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 695657) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
PubChem CID695657
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccoc2C)n1
InChIInChI=1S/C11H12N2O2/c1-7-6-8(2)13(12-7)11(14)10-4-5-15-9(10)3/h4-6H,1-3H3
InChIKeyBOHGQBCPMMXTHJ-UHFFFAOYSA-N
XLogP2.09
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone (CID 695657) is (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone is Cc1cc(C)n(C(=O)c2ccoc2C)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is BOHGQBCPMMXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-6-8(2)13(12-7)11(14)10-4-5-15-9(10)3/h4-6H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 695657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).