5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide

C19H20N4O4 — CID 78867824

IUPAC5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)o1
InChIInChI=1S/C19H20N4O4/c1-13(23-10-4-9-20-23)18(24)21-14-5-3-6-15(11-14)22-19(25)17-8-7-16(27-17)12-26-2/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyANRYNJOEOLSJRT-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.07
Rot. Bonds7

About 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide

5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide (PubChem CID 78867824) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
PubChem CID78867824
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)o1
InChIInChI=1S/C19H20N4O4/c1-13(23-10-4-9-20-23)18(24)21-14-5-3-6-15(11-14)22-19(25)17-8-7-16(27-17)12-26-2/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyANRYNJOEOLSJRT-UHFFFAOYSA-N
XLogP3.07
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide (CID 78867824) is 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide is COCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is ANRYNJOEOLSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13(23-10-4-9-20-23)18(24)21-14-5-3-6-15(11-14)22-19(25)17-8-7-16(27-17)12-26-2/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 78867824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).