5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile

C15H17FN4O — CID 100763129

IUPAC5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
SMILESCC(C)Cn1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C15H17FN4O/c1-10(2)8-20-14(18)13(7-17)15(19-20)21-9-11-3-5-12(16)6-4-11/h3-6,10H,8-9,18H2,1-2H3
InChIKeyVFYGKFYGQFXSQE-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.71
Rot. Bonds5

About 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile

5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile (PubChem CID 100763129) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
PubChem CID100763129
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
SMILESCC(C)Cn1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C15H17FN4O/c1-10(2)8-20-14(18)13(7-17)15(19-20)21-9-11-3-5-12(16)6-4-11/h3-6,10H,8-9,18H2,1-2H3
InChIKeyVFYGKFYGQFXSQE-UHFFFAOYSA-N
XLogP2.71
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile (CID 100763129) is 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile is CC(C)Cn1nc(OCc2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The InChIKey is VFYGKFYGQFXSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10(2)8-20-14(18)13(7-17)15(19-20)21-9-11-3-5-12(16)6-4-11/h3-6,10H,8-9,18H2,1-2H3.
What are the key properties of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile has a molecular weight of 288.33 g/mol, XLogP of 2.71, 5 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-(2-methylpropyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100763129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).