2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid

C19H19N3O3 — CID 56889134

IUPAC2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(Cc2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C19H19N3O3/c23-19(24)16-4-2-1-3-15(16)13-8-10-22(11-13)12-14-5-6-18(25-14)17-7-9-20-21-17/h1-7,9,13H,8,10-12H2,(H,20,21)(H,23,24)
InChIKeyIKZVSGWWDXNMGV-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.36
Rot. Bonds5

About 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid

2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid (PubChem CID 56889134) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid
PubChem CID56889134
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(Cc2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C19H19N3O3/c23-19(24)16-4-2-1-3-15(16)13-8-10-22(11-13)12-14-5-6-18(25-14)17-7-9-20-21-17/h1-7,9,13H,8,10-12H2,(H,20,21)(H,23,24)
InChIKeyIKZVSGWWDXNMGV-UHFFFAOYSA-N
XLogP3.36
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid?
The IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid (CID 56889134) is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid.
What is the SMILES notation for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid?
The canonical SMILES for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid is O=C(O)c1ccccc1C1CCN(Cc2ccc(-c3ccn[nH]3)o2)C1.
What is the InChIKey of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid?
The InChIKey is IKZVSGWWDXNMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(24)16-4-2-1-3-15(16)13-8-10-22(11-13)12-14-5-6-18(25-14)17-7-9-20-21-17/h1-7,9,13H,8,10-12H2,(H,20,21)(H,23,24).
What are the key properties of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid?
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]benzoic acid is sourced from PubChem (CID 56889134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).