5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile

C15H16FN5 — CID 102796647

IUPAC5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1cc(F)ccc1-n1nc(NC2CCC2)c(C#N)c1N
InChIInChI=1S/C15H16FN5/c1-9-7-10(16)5-6-13(9)21-14(18)12(8-17)15(20-21)19-11-3-2-4-11/h5-7,11H,2-4,18H2,1H3,(H,19,20)
InChIKeyLUBSMIJRSQULCH-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.74
Rot. Bonds3

About 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile

5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 102796647) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
PubChem CID102796647
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1cc(F)ccc1-n1nc(NC2CCC2)c(C#N)c1N
InChIInChI=1S/C15H16FN5/c1-9-7-10(16)5-6-13(9)21-14(18)12(8-17)15(20-21)19-11-3-2-4-11/h5-7,11H,2-4,18H2,1H3,(H,19,20)
InChIKeyLUBSMIJRSQULCH-UHFFFAOYSA-N
XLogP2.74
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile (CID 102796647) is 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile is Cc1cc(F)ccc1-n1nc(NC2CCC2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is LUBSMIJRSQULCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-9-7-10(16)5-6-13(9)21-14(18)12(8-17)15(20-21)19-11-3-2-4-11/h5-7,11H,2-4,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile?
5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 285.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).