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

C9H8N2O3 — CID 66755838

IUPACmethyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)8-4-7(10-11-8)6-2-3-14-5-6/h2-5H,1H3,(H,10,11)
InChIKeyMBEARPMOTXDBLF-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.46
Rot. Bonds2

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

methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate (PubChem CID 66755838) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate
PubChem CID66755838
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)8-4-7(10-11-8)6-2-3-14-5-6/h2-5H,1H3,(H,10,11)
InChIKeyMBEARPMOTXDBLF-UHFFFAOYSA-N
XLogP1.46
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate (CID 66755838) is methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2ccoc2)n[nH]1.
What is the InChIKey of methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is MBEARPMOTXDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-9(12)8-4-7(10-11-8)6-2-3-14-5-6/h2-5H,1H3,(H,10,11).
What are the key properties of methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate?
methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 66755838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).