1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide

C17H14ClN3O2 — CID 75418587

IUPAC1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-16-4-2-1-3-12(16)10-21-11-13(9-19-21)17(23)20-14-5-7-15(22)8-6-14/h1-9,11,22H,10H2,(H,20,23)
InChIKeySPKYRSHJUSRSAB-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.54
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide (PubChem CID 75418587) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide
PubChem CID75418587
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-16-4-2-1-3-12(16)10-21-11-13(9-19-21)17(23)20-14-5-7-15(22)8-6-14/h1-9,11,22H,10H2,(H,20,23)
InChIKeySPKYRSHJUSRSAB-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide (CID 75418587) is 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(O)cc1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide?
The InChIKey is SPKYRSHJUSRSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-16-4-2-1-3-12(16)10-21-11-13(9-19-21)17(23)20-14-5-7-15(22)8-6-14/h1-9,11,22H,10H2,(H,20,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75418587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).