(5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone

C9H8N2O2 — CID 114988905

IUPAC(5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn[nH]c2)o1
InChIInChI=1S/C9H8N2O2/c1-6-2-3-8(13-6)9(12)7-4-10-11-5-7/h2-5H,1H3,(H,10,11)
InChIKeyQVOFQQXKXQYCQE-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.54
Rot. Bonds2

About (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone

(5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 114988905) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID114988905
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name(5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn[nH]c2)o1
InChIInChI=1S/C9H8N2O2/c1-6-2-3-8(13-6)9(12)7-4-10-11-5-7/h2-5H,1H3,(H,10,11)
InChIKeyQVOFQQXKXQYCQE-UHFFFAOYSA-N
XLogP1.54
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone (CID 114988905) is (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone is Cc1ccc(C(=O)c2cn[nH]c2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is QVOFQQXKXQYCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-2-3-8(13-6)9(12)7-4-10-11-5-7/h2-5H,1H3,(H,10,11).
What are the key properties of (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone?
(5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 176.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 114988905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).