[[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol

C21H16ClFN4O — CID 123488476

IUPAC[[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol
SMILESOC(Nc1cc(-c2ccccn2)nn1-c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C21H16ClFN4O/c22-16-5-1-2-7-19(16)27-20(13-18(26-27)17-6-3-4-12-24-17)25-21(28)14-8-10-15(23)11-9-14/h1-13,21,25,28H
InChIKeyBLSJOWSAOQNFMO-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.83
Rot. Bonds5

About [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol

[[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol (PubChem CID 123488476) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol
PubChem CID123488476
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC Name[[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol
SMILESOC(Nc1cc(-c2ccccn2)nn1-c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C21H16ClFN4O/c22-16-5-1-2-7-19(16)27-20(13-18(26-27)17-6-3-4-12-24-17)25-21(28)14-8-10-15(23)11-9-14/h1-13,21,25,28H
InChIKeyBLSJOWSAOQNFMO-UHFFFAOYSA-N
XLogP4.83
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol?
The IUPAC name of [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol (CID 123488476) is [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol.
What is the SMILES notation for [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol?
The canonical SMILES for [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol is OC(Nc1cc(-c2ccccn2)nn1-c1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol?
The InChIKey is BLSJOWSAOQNFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c22-16-5-1-2-7-19(16)27-20(13-18(26-27)17-6-3-4-12-24-17)25-21(28)14-8-10-15(23)11-9-14/h1-13,21,25,28H.
What are the key properties of [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol?
[[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol has a molecular weight of 394.84 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(2-chlorophenyl)-3-pyridin-2-ylpyrazol-5-yl]amino]-(4-fluorophenyl)methanol is sourced from PubChem (CID 123488476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).