4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol

C18H19FN4O — CID 166594353

IUPAC4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1NNC(c2c[nH]c3ccccc23)C1F
InChIInChI=1S/C18H19FN4O/c1-10-8-11(24)6-7-14(10)21-18-16(19)17(22-23-18)13-9-20-15-5-3-2-4-12(13)15/h2-9,16-18,20-24H,1H3
InChIKeyNLZXGHAFQYGIEB-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.11
Rot. Bonds3

About 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol

4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol (PubChem CID 166594353) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol
PubChem CID166594353
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1NNC(c2c[nH]c3ccccc23)C1F
InChIInChI=1S/C18H19FN4O/c1-10-8-11(24)6-7-14(10)21-18-16(19)17(22-23-18)13-9-20-15-5-3-2-4-12(13)15/h2-9,16-18,20-24H,1H3
InChIKeyNLZXGHAFQYGIEB-UHFFFAOYSA-N
XLogP3.11
TPSA72.11 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol 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 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol (CID 166594353) is 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol is Cc1cc(O)ccc1NC1NNC(c2c[nH]c3ccccc23)C1F.
What is the InChIKey of 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
The InChIKey is NLZXGHAFQYGIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-10-8-11(24)6-7-14(10)21-18-16(19)17(22-23-18)13-9-20-15-5-3-2-4-12(13)15/h2-9,16-18,20-24H,1H3.
What are the key properties of 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol has a molecular weight of 326.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol is sourced from PubChem (CID 166594353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).