5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C15H13FN4O — CID 80523543

IUPAC5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCOc1cccc(F)c1-c1[nH]nc(N)c1-c1ccncc1
InChIInChI=1S/C15H13FN4O/c1-21-11-4-2-3-10(16)13(11)14-12(15(17)20-19-14)9-5-7-18-8-6-9/h2-8H,1H3,(H3,17,19,20)
InChIKeyQYXRDOYALGGTNX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.87
Rot. Bonds3

About 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80523543) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80523543
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCOc1cccc(F)c1-c1[nH]nc(N)c1-c1ccncc1
InChIInChI=1S/C15H13FN4O/c1-21-11-4-2-3-10(16)13(11)14-12(15(17)20-19-14)9-5-7-18-8-6-9/h2-8H,1H3,(H3,17,19,20)
InChIKeyQYXRDOYALGGTNX-UHFFFAOYSA-N
XLogP2.87
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80523543) is 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is COc1cccc(F)c1-c1[nH]nc(N)c1-c1ccncc1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is QYXRDOYALGGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-11-4-2-3-10(16)13(11)14-12(15(17)20-19-14)9-5-7-18-8-6-9/h2-8H,1H3,(H3,17,19,20).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 284.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80523543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).