4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile

C15H16N4O2 — CID 90076952

IUPAC4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile
SMILESN#Cc1c(N)c(C2CCOCC2)nn1-c1ccc(O)cc1
InChIInChI=1S/C15H16N4O2/c16-9-13-14(17)15(10-5-7-21-8-6-10)18-19(13)11-1-3-12(20)4-2-11/h1-4,10,20H,5-8,17H2
InChIKeyIDSSGTHFNOOQKI-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds2

About 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile

4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile (PubChem CID 90076952) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile
PubChem CID90076952
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile
SMILESN#Cc1c(N)c(C2CCOCC2)nn1-c1ccc(O)cc1
InChIInChI=1S/C15H16N4O2/c16-9-13-14(17)15(10-5-7-21-8-6-10)18-19(13)11-1-3-12(20)4-2-11/h1-4,10,20H,5-8,17H2
InChIKeyIDSSGTHFNOOQKI-UHFFFAOYSA-N
XLogP1.93
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile?
The IUPAC name of 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile (CID 90076952) is 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile is N#Cc1c(N)c(C2CCOCC2)nn1-c1ccc(O)cc1.
What is the InChIKey of 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile?
The InChIKey is IDSSGTHFNOOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-9-13-14(17)15(10-5-7-21-8-6-10)18-19(13)11-1-3-12(20)4-2-11/h1-4,10,20H,5-8,17H2.
What are the key properties of 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile?
4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-hydroxyphenyl)-5-(oxan-4-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 90076952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).