methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate

C13H16N2O4 — CID 106946499

IUPACmethyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate
SMILESCCCn1cc(C(O)c2ccc(C(=O)OC)o2)cn1
InChIInChI=1S/C13H16N2O4/c1-3-6-15-8-9(7-14-15)12(16)10-4-5-11(19-10)13(17)18-2/h4-5,7-8,12,16H,3,6H2,1-2H3
InChIKeyKXAZTQVELIQJSV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.75
Rot. Bonds5

About methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate

methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate (PubChem CID 106946499) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate
PubChem CID106946499
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate
SMILESCCCn1cc(C(O)c2ccc(C(=O)OC)o2)cn1
InChIInChI=1S/C13H16N2O4/c1-3-6-15-8-9(7-14-15)12(16)10-4-5-11(19-10)13(17)18-2/h4-5,7-8,12,16H,3,6H2,1-2H3
InChIKeyKXAZTQVELIQJSV-UHFFFAOYSA-N
XLogP1.75
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
methyl 5-[(3,4-dichlorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945920
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
methyl 5-[(3,4-difluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945966
methyl 5-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxylate
CID 106945947
methyl 5-[hydroxy-(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106947157
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
(5-chlorofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 106693588
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901

Frequently Asked Questions

What is the IUPAC name of methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate (CID 106946499) is methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate is CCCn1cc(C(O)c2ccc(C(=O)OC)o2)cn1.
What is the InChIKey of methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate?
The InChIKey is KXAZTQVELIQJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-6-15-8-9(7-14-15)12(16)10-4-5-11(19-10)13(17)18-2/h4-5,7-8,12,16H,3,6H2,1-2H3.
What are the key properties of methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate?
methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 106946499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).