1-methyl-5-(5-methylfuran-2-yl)pyrazole

C9H10N2O — CID 116869204

IUPAC1-methyl-5-(5-methylfuran-2-yl)pyrazole
SMILESCc1ccc(-c2ccnn2C)o1
InChIInChI=1S/C9H10N2O/c1-7-3-4-9(12-7)8-5-6-10-11(8)2/h3-6H,1-2H3
InChIKeyXIOGKDXWQVFDQV-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds1

About 1-methyl-5-(5-methylfuran-2-yl)pyrazole

1-methyl-5-(5-methylfuran-2-yl)pyrazole (PubChem CID 116869204) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-methyl-5-(5-methylfuran-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(5-methylfuran-2-yl)pyrazole
PubChem CID116869204
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-methyl-5-(5-methylfuran-2-yl)pyrazole
SMILESCc1ccc(-c2ccnn2C)o1
InChIInChI=1S/C9H10N2O/c1-7-3-4-9(12-7)8-5-6-10-11(8)2/h3-6H,1-2H3
InChIKeyXIOGKDXWQVFDQV-UHFFFAOYSA-N
XLogP1.99
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106887263
N,1-dimethyl-5-(5-methylfuran-2-yl)pyrazol-3-amine
CID 116827492
4-(5-methylfuran-2-yl)pyridine
CID 15721829
1,2-dimethyl-5-(5-methylfuran-2-yl)pyrrole-3-carbonitrile
CID 116828653
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
1-methyl-5-(4-methylthiophen-3-yl)pyrazole
CID 89104490
5-(2,4-dimethylphenyl)-1-methylpyrazole
CID 91605877
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
5-methyl-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]thiophene-2-sulfonamide
CID 146080734
2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121239944
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
CID 146078308
1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine
CID 116825934

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methylfuran-2-yl)pyrazole?
The IUPAC name of 1-methyl-5-(5-methylfuran-2-yl)pyrazole (CID 116869204) is 1-methyl-5-(5-methylfuran-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-5-(5-methylfuran-2-yl)pyrazole?
The canonical SMILES for 1-methyl-5-(5-methylfuran-2-yl)pyrazole is Cc1ccc(-c2ccnn2C)o1.
What is the InChIKey of 1-methyl-5-(5-methylfuran-2-yl)pyrazole?
The InChIKey is XIOGKDXWQVFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-3-4-9(12-7)8-5-6-10-11(8)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-5-(5-methylfuran-2-yl)pyrazole?
1-methyl-5-(5-methylfuran-2-yl)pyrazole has a molecular weight of 162.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylfuran-2-yl)pyrazole is sourced from PubChem (CID 116869204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).