3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile

C11H10N4O — CID 153372050

IUPAC3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cn(Cc2ccc(O)cc2)nc1N
InChIInChI=1S/C11H10N4O/c12-5-9-7-15(14-11(9)13)6-8-1-3-10(16)4-2-8/h1-4,7,16H,6H2,(H2,13,14)
InChIKeyRTYAGYMZWVYTRE-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.09
Rot. Bonds2

About 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile

3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile (PubChem CID 153372050) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile
PubChem CID153372050
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cn(Cc2ccc(O)cc2)nc1N
InChIInChI=1S/C11H10N4O/c12-5-9-7-15(14-11(9)13)6-8-1-3-10(16)4-2-8/h1-4,7,16H,6H2,(H2,13,14)
InChIKeyRTYAGYMZWVYTRE-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile (CID 153372050) is 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile is N#Cc1cn(Cc2ccc(O)cc2)nc1N.
What is the InChIKey of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile?
The InChIKey is RTYAGYMZWVYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-5-9-7-15(14-11(9)13)6-8-1-3-10(16)4-2-8/h1-4,7,16H,6H2,(H2,13,14).
What are the key properties of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile?
3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 153372050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).