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

C10H10N2O2 — CID 786123

IUPAC(3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccco2)n1
InChIInChI=1S/C10H10N2O2/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3
InChIKeyLLJSRUPSMPLORG-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.78
Rot. Bonds1

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

(3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone (PubChem CID 786123) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
PubChem CID786123
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccco2)n1
InChIInChI=1S/C10H10N2O2/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3
InChIKeyLLJSRUPSMPLORG-UHFFFAOYSA-N
XLogP1.78
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.78
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)-(furan-2-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone (CID 786123) is (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone is Cc1cc(C)n(C(=O)c2ccco2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is LLJSRUPSMPLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone has a molecular weight of 190.20 g/mol, XLogP of 1.78, 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)-(furan-2-yl)methanone is sourced from PubChem (CID 786123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).