methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate

C14H17N3O4 — CID 5303481

IUPACmethyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate
SMILESCOC(=O)CCCn1nc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C14H17N3O4/c1-10-9-12(15-14(19)11-5-4-8-21-11)16-17(10)7-3-6-13(18)20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16,19)
InChIKeyHBHJBXGJRPFZBE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.99
Rot. Bonds6

About methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate

methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate (PubChem CID 5303481) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate
PubChem CID5303481
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate
SMILESCOC(=O)CCCn1nc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C14H17N3O4/c1-10-9-12(15-14(19)11-5-4-8-21-11)16-17(10)7-3-6-13(18)20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16,19)
InChIKeyHBHJBXGJRPFZBE-UHFFFAOYSA-N
XLogP1.99
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate 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 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate?
The IUPAC name of methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate (CID 5303481) is methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate is COC(=O)CCCn1nc(NC(=O)c2ccco2)cc1C.
What is the InChIKey of methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate?
The InChIKey is HBHJBXGJRPFZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10-9-12(15-14(19)11-5-4-8-21-11)16-17(10)7-3-6-13(18)20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16,19).
What are the key properties of methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate?
methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate has a molecular weight of 291.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(furan-2-carbonylamino)-5-methylpyrazol-1-yl]butanoate is sourced from PubChem (CID 5303481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).