5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile

C14H15FN4O — CID 100762355

IUPAC5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCC(C)n1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C14H15FN4O/c1-9(2)19-13(17)12(7-16)14(18-19)20-8-10-3-5-11(15)6-4-10/h3-6,9H,8,17H2,1-2H3
InChIKeyNKEQWYHYMOZUGK-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.64
Rot. Bonds4

About 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile

5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile (PubChem CID 100762355) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile
PubChem CID100762355
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCC(C)n1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C14H15FN4O/c1-9(2)19-13(17)12(7-16)14(18-19)20-8-10-3-5-11(15)6-4-10/h3-6,9H,8,17H2,1-2H3
InChIKeyNKEQWYHYMOZUGK-UHFFFAOYSA-N
XLogP2.64
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
5-amino-1-ethyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100762021
5-amino-1-butan-2-yl-3-[(4-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 133190163
5-amino-3-[(3,4-dimethylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763144
5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762264
5-amino-1-benzyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764115
5-amino-3-[(4-methylphenyl)methoxy]-1-prop-2-enylpyrazole-4-carbonitrile
CID 100763711
5-amino-1-[(2-fluorophenyl)methyl]-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764765
5-amino-3-[(3-methylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763103
5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763119
5-amino-3-[(4-methoxyphenyl)methoxy]-1-[(2-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765549
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile (CID 100762355) is 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile is CC(C)n1nc(OCc2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile?
The InChIKey is NKEQWYHYMOZUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9(2)19-13(17)12(7-16)14(18-19)20-8-10-3-5-11(15)6-4-10/h3-6,9H,8,17H2,1-2H3.
What are the key properties of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile?
5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile has a molecular weight of 274.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 100762355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).