3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide

C18H12FN5O2 — CID 745012

IUPAC3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H12FN5O2/c19-11-7-5-10(6-8-11)14-9-15(22-21-14)17(25)24-23-16-12-3-1-2-4-13(12)20-18(16)26/h1-9,20,26H,(H,21,22)/b24-23+
InChIKeyMPHARLRIAAOLRH-WCWDXBQESA-N
MW349.33 g/mol
LogP4.33
Rot. Bonds3

About 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide (PubChem CID 745012) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide
PubChem CID745012
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H12FN5O2/c19-11-7-5-10(6-8-11)14-9-15(22-21-14)17(25)24-23-16-12-3-1-2-4-13(12)20-18(16)26/h1-9,20,26H,(H,21,22)/b24-23+
InChIKeyMPHARLRIAAOLRH-WCWDXBQESA-N
XLogP4.33
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide (CID 745012) is 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide?
The InChIKey is MPHARLRIAAOLRH-WCWDXBQESA-N. The full InChI is InChI=1S/C18H12FN5O2/c19-11-7-5-10(6-8-11)14-9-15(22-21-14)17(25)24-23-16-12-3-1-2-4-13(12)20-18(16)26/h1-9,20,26H,(H,21,22)/b24-23+.
What are the key properties of 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 745012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).