methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate

C10H10N2O3 — CID 2743394

IUPACmethyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)n[nH]c1C
InChIInChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)
InChIKeyQIPOGDVPLFLWHT-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.76
Rot. Bonds2

About methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate

methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate (PubChem CID 2743394) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate
PubChem CID2743394
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)n[nH]c1C
InChIInChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)
InChIKeyQIPOGDVPLFLWHT-UHFFFAOYSA-N
XLogP1.76
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate (CID 2743394) is methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate is COC(=O)c1c(-c2ccco2)n[nH]c1C.
What is the InChIKey of methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate?
The InChIKey is QIPOGDVPLFLWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate?
methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 2743394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).