[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol

C16H17N3O2 — CID 64591413

IUPAC[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Cn3cccn3)cc2)o1
InChIInChI=1S/C16H17N3O2/c20-12-16-7-6-15(21-16)10-17-14-4-2-13(3-5-14)11-19-9-1-8-18-19/h1-9,17,20H,10-12H2
InChIKeyZUUOENAEYLLADR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds6

About [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol

[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol (PubChem CID 64591413) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
PubChem CID64591413
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Cn3cccn3)cc2)o1
InChIInChI=1S/C16H17N3O2/c20-12-16-7-6-15(21-16)10-17-14-4-2-13(3-5-14)11-19-9-1-8-18-19/h1-9,17,20H,10-12H2
InChIKeyZUUOENAEYLLADR-UHFFFAOYSA-N
XLogP2.63
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol 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 [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol (CID 64591413) is [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(Cn3cccn3)cc2)o1.
What is the InChIKey of [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol?
The InChIKey is ZUUOENAEYLLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-12-16-7-6-15(21-16)10-17-14-4-2-13(3-5-14)11-19-9-1-8-18-19/h1-9,17,20H,10-12H2.
What are the key properties of [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol?
[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64591413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).