4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol

C19H20FN5O — CID 166594351

IUPAC4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1CC(c2ccc(-n3cc(F)cn3)cc2)NN1
InChIInChI=1S/C19H20FN5O/c1-12-8-16(26)6-7-17(12)22-19-9-18(23-24-19)13-2-4-15(5-3-13)25-11-14(20)10-21-25/h2-8,10-11,18-19,22-24,26H,9H2,1H3
InChIKeyLTCUAYCQMBJGST-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.00
Rot. Bonds4

About 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol

4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol (PubChem CID 166594351) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol
PubChem CID166594351
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1CC(c2ccc(-n3cc(F)cn3)cc2)NN1
InChIInChI=1S/C19H20FN5O/c1-12-8-16(26)6-7-17(12)22-19-9-18(23-24-19)13-2-4-15(5-3-13)25-11-14(20)10-21-25/h2-8,10-11,18-19,22-24,26H,9H2,1H3
InChIKeyLTCUAYCQMBJGST-UHFFFAOYSA-N
XLogP3.00
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol (CID 166594351) is 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol is Cc1cc(O)ccc1NC1CC(c2ccc(-n3cc(F)cn3)cc2)NN1.
What is the InChIKey of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol?
The InChIKey is LTCUAYCQMBJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-8-16(26)6-7-17(12)22-19-9-18(23-24-19)13-2-4-15(5-3-13)25-11-14(20)10-21-25/h2-8,10-11,18-19,22-24,26H,9H2,1H3.
What are the key properties of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol?
4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol has a molecular weight of 353.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]pyrazolidin-3-yl]amino]-3-methylphenol is sourced from PubChem (CID 166594351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).