5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile

C17H13N5O — CID 136621797

IUPAC5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(/N=C/c2ccc(O)cc2)n[nH]c1Nc1ccccc1
InChIInChI=1S/C17H13N5O/c18-10-15-16(19-11-12-6-8-14(23)9-7-12)21-22-17(15)20-13-4-2-1-3-5-13/h1-9,11,23H,(H2,20,21,22)/b19-11+
InChIKeyZIUWZBFTZOCYKH-YBFXNURJSA-N
MW303.33 g/mol
LogP3.48
Rot. Bonds4

About 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile

5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile (PubChem CID 136621797) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
PubChem CID136621797
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(/N=C/c2ccc(O)cc2)n[nH]c1Nc1ccccc1
InChIInChI=1S/C17H13N5O/c18-10-15-16(19-11-12-6-8-14(23)9-7-12)21-22-17(15)20-13-4-2-1-3-5-13/h1-9,11,23H,(H2,20,21,22)/b19-11+
InChIKeyZIUWZBFTZOCYKH-YBFXNURJSA-N
XLogP3.48
TPSA97.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile (CID 136621797) is 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile is N#Cc1c(/N=C/c2ccc(O)cc2)n[nH]c1Nc1ccccc1.
What is the InChIKey of 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The InChIKey is ZIUWZBFTZOCYKH-YBFXNURJSA-N. The full InChI is InChI=1S/C17H13N5O/c18-10-15-16(19-11-12-6-8-14(23)9-7-12)21-22-17(15)20-13-4-2-1-3-5-13/h1-9,11,23H,(H2,20,21,22)/b19-11+.
What are the key properties of 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile has a molecular weight of 303.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 136621797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).