N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine

C15H14FN5O — CID 133387438

IUPACN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2cnn(-c3ccccc3F)c2C)n1
InChIInChI=1S/C15H14FN5O/c1-10-12(19-15-17-8-7-14(20-15)22-2)9-18-21(10)13-6-4-3-5-11(13)16/h3-9H,1-2H3,(H,17,19,20)
InChIKeyAHCSGGSJMXENPB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.86
Rot. Bonds4

About N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine

N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine (PubChem CID 133387438) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine
PubChem CID133387438
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2cnn(-c3ccccc3F)c2C)n1
InChIInChI=1S/C15H14FN5O/c1-10-12(19-15-17-8-7-14(20-15)22-2)9-18-21(10)13-6-4-3-5-11(13)16/h3-9H,1-2H3,(H,17,19,20)
InChIKeyAHCSGGSJMXENPB-UHFFFAOYSA-N
XLogP2.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine (CID 133387438) is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine is COc1ccnc(Nc2cnn(-c3ccccc3F)c2C)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine?
The InChIKey is AHCSGGSJMXENPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-10-12(19-15-17-8-7-14(20-15)22-2)9-18-21(10)13-6-4-3-5-11(13)16/h3-9H,1-2H3,(H,17,19,20).
What are the key properties of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine?
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine has a molecular weight of 299.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 133387438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).