5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile

C15H16FN5 — CID 102795510

IUPAC5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)nn(-c2ccccc2F)c1N
InChIInChI=1S/C15H16FN5/c16-12-6-2-3-7-13(12)21-14(18)11(10-17)15(19-21)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9,18H2
InChIKeyVYHVXSGZBWPEHS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.46
Rot. Bonds2

About 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile

5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile (PubChem CID 102795510) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
PubChem CID102795510
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)nn(-c2ccccc2F)c1N
InChIInChI=1S/C15H16FN5/c16-12-6-2-3-7-13(12)21-14(18)11(10-17)15(19-21)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9,18H2
InChIKeyVYHVXSGZBWPEHS-UHFFFAOYSA-N
XLogP2.46
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile (CID 102795510) is 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile is N#Cc1c(N2CCCCC2)nn(-c2ccccc2F)c1N.
What is the InChIKey of 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile?
The InChIKey is VYHVXSGZBWPEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c16-12-6-2-3-7-13(12)21-14(18)11(10-17)15(19-21)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9,18H2.
What are the key properties of 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile?
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile has a molecular weight of 285.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).