3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate

C19H20N2O4 — CID 167845834

IUPAC3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate
SMILESCn1cc(CCCOC(=O)c2occc2COc2ccccc2)cn1
InChIInChI=1S/C19H20N2O4/c1-21-13-15(12-20-21)6-5-10-24-19(22)18-16(9-11-23-18)14-25-17-7-3-2-4-8-17/h2-4,7-9,11-13H,5-6,10,14H2,1H3
InChIKeyCGPBWZHVLFPYPQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.38
Rot. Bonds8

About 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate

3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 167845834) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate
PubChem CID167845834
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate
SMILESCn1cc(CCCOC(=O)c2occc2COc2ccccc2)cn1
InChIInChI=1S/C19H20N2O4/c1-21-13-15(12-20-21)6-5-10-24-19(22)18-16(9-11-23-18)14-25-17-7-3-2-4-8-17/h2-4,7-9,11-13H,5-6,10,14H2,1H3
InChIKeyCGPBWZHVLFPYPQ-UHFFFAOYSA-N
XLogP3.38
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate (CID 167845834) is 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate is Cn1cc(CCCOC(=O)c2occc2COc2ccccc2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is CGPBWZHVLFPYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-13-15(12-20-21)6-5-10-24-19(22)18-16(9-11-23-18)14-25-17-7-3-2-4-8-17/h2-4,7-9,11-13H,5-6,10,14H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate?
3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 167845834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).