4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile

C17H17N5O — CID 141282628

IUPAC4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
SMILESN#Cc1ccc(OCc2cnn(C3CCNCC3)c2C#N)cc1
InChIInChI=1S/C17H17N5O/c18-9-13-1-3-16(4-2-13)23-12-14-11-21-22(17(14)10-19)15-5-7-20-8-6-15/h1-4,11,15,20H,5-8,12H2
InChIKeyKAOXITOLYYSNCH-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.13
Rot. Bonds4

About 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile

4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile (PubChem CID 141282628) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
PubChem CID141282628
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
SMILESN#Cc1ccc(OCc2cnn(C3CCNCC3)c2C#N)cc1
InChIInChI=1S/C17H17N5O/c18-9-13-1-3-16(4-2-13)23-12-14-11-21-22(17(14)10-19)15-5-7-20-8-6-15/h1-4,11,15,20H,5-8,12H2
InChIKeyKAOXITOLYYSNCH-UHFFFAOYSA-N
XLogP2.13
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
The IUPAC name of 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile (CID 141282628) is 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile.
What is the SMILES notation for 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
The canonical SMILES for 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile is N#Cc1ccc(OCc2cnn(C3CCNCC3)c2C#N)cc1.
What is the InChIKey of 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
The InChIKey is KAOXITOLYYSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-9-13-1-3-16(4-2-13)23-12-14-11-21-22(17(14)10-19)15-5-7-20-8-6-15/h1-4,11,15,20H,5-8,12H2.
What are the key properties of 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile is sourced from PubChem (CID 141282628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).