4-(furan-3-ylmethoxy)-1-methylpyrazole

C9H10N2O2 — CID 116793970

IUPAC4-(furan-3-ylmethoxy)-1-methylpyrazole
SMILESCn1cc(OCc2ccoc2)cn1
InChIInChI=1S/C9H10N2O2/c1-11-5-9(4-10-11)13-7-8-2-3-12-6-8/h2-6H,7H2,1H3
InChIKeyWCCREDZJQCOQLC-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.59
Rot. Bonds3

About 4-(furan-3-ylmethoxy)-1-methylpyrazole

4-(furan-3-ylmethoxy)-1-methylpyrazole (PubChem CID 116793970) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(furan-3-ylmethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-(furan-3-ylmethoxy)-1-methylpyrazole
PubChem CID116793970
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-(furan-3-ylmethoxy)-1-methylpyrazole
SMILESCn1cc(OCc2ccoc2)cn1
InChIInChI=1S/C9H10N2O2/c1-11-5-9(4-10-11)13-7-8-2-3-12-6-8/h2-6H,7H2,1H3
InChIKeyWCCREDZJQCOQLC-UHFFFAOYSA-N
XLogP1.59
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
3-(furan-3-ylmethoxy)pyridine
CID 112558860
4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
CID 116793938
1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 130558376
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 116792491
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
CID 116793594
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197
4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
CID 115753041

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethoxy)-1-methylpyrazole?
The IUPAC name of 4-(furan-3-ylmethoxy)-1-methylpyrazole (CID 116793970) is 4-(furan-3-ylmethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-(furan-3-ylmethoxy)-1-methylpyrazole?
The canonical SMILES for 4-(furan-3-ylmethoxy)-1-methylpyrazole is Cn1cc(OCc2ccoc2)cn1.
What is the InChIKey of 4-(furan-3-ylmethoxy)-1-methylpyrazole?
The InChIKey is WCCREDZJQCOQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-5-9(4-10-11)13-7-8-2-3-12-6-8/h2-6H,7H2,1H3.
What are the key properties of 4-(furan-3-ylmethoxy)-1-methylpyrazole?
4-(furan-3-ylmethoxy)-1-methylpyrazole has a molecular weight of 178.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethoxy)-1-methylpyrazole is sourced from PubChem (CID 116793970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).