4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol

C14H11FN4O — CID 139405772

IUPAC4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(Nc3ccc(F)nc3)n[nH]2)cc1
InChIInChI=1S/C14H11FN4O/c15-13-6-3-10(8-16-13)17-14-7-12(18-19-14)9-1-4-11(20)5-2-9/h1-8,20H,(H2,17,18,19)
InChIKeyWKGHTLASPYGPPT-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.06
Rot. Bonds3

About 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol

4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol (PubChem CID 139405772) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol
PubChem CID139405772
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(Nc3ccc(F)nc3)n[nH]2)cc1
InChIInChI=1S/C14H11FN4O/c15-13-6-3-10(8-16-13)17-14-7-12(18-19-14)9-1-4-11(20)5-2-9/h1-8,20H,(H2,17,18,19)
InChIKeyWKGHTLASPYGPPT-UHFFFAOYSA-N
XLogP3.06
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4''-(5-{6-[(cyclopropylmethyl-amino)-methyl]-pyridin-3-ylamino}-1H-pyrazol-3-yl)-biphenyl-2,4-diol
CID 135440394
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-[4-[3-[[6-[(butan-2-ylamino)methyl]-3-pyridinyl]amino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034785
4-[4-[3-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]amino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034786
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
4-[2-[(6-methyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-yl)amino]ethyl]phenol
CID 73167568
2-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)phenol
CID 136015189
US10308614, Example 75
CID 137029374
4,4'-(5-{[(1h-Imidazol-4-Yl)methyl]amino}-1h-Pyrazole-3,4-Diyl)diphenol
CID 135567150
N-[5-(4-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]cyclopropanecarboxamide
CID 168273486
5-fluoro-2-[[[3-(1H-pyrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807237
5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807241

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol (CID 139405772) is 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol is Oc1ccc(-c2cc(Nc3ccc(F)nc3)n[nH]2)cc1.
What is the InChIKey of 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol?
The InChIKey is WKGHTLASPYGPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-13-6-3-10(8-16-13)17-14-7-12(18-19-14)9-1-4-11(20)5-2-9/h1-8,20H,(H2,17,18,19).
What are the key properties of 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol?
4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol has a molecular weight of 270.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 139405772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).