2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile

C11H10N4O — CID 131484759

IUPAC2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile
SMILESN#CCc1cnn(-c2ccc(O)cc2)c1N
InChIInChI=1S/C11H10N4O/c12-6-5-8-7-14-15(11(8)13)9-1-3-10(16)4-2-9/h1-4,7,16H,5,13H2
InChIKeyIBOLILCJPYPBAT-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.23
Rot. Bonds2

About 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile

2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile (PubChem CID 131484759) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile
PubChem CID131484759
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile
SMILESN#CCc1cnn(-c2ccc(O)cc2)c1N
InChIInChI=1S/C11H10N4O/c12-6-5-8-7-14-15(11(8)13)9-1-3-10(16)4-2-9/h1-4,7,16H,5,13H2
InChIKeyIBOLILCJPYPBAT-UHFFFAOYSA-N
XLogP1.23
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile?
The IUPAC name of 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile (CID 131484759) is 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile?
The canonical SMILES for 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile is N#CCc1cnn(-c2ccc(O)cc2)c1N.
What is the InChIKey of 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile?
The InChIKey is IBOLILCJPYPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-6-5-8-7-14-15(11(8)13)9-1-3-10(16)4-2-9/h1-4,7,16H,5,13H2.
What are the key properties of 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile?
2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile is sourced from PubChem (CID 131484759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).