1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide

C19H16FN5O2 — CID 136652022

IUPAC1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide
SMILESCn1nccc1-c1c(C(N)=NO)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C19H16FN5O2/c1-24-16(8-9-22-24)18-17(19(21)23-27)12-4-2-3-5-14(12)25(18)15-7-6-11(26)10-13(15)20/h2-10,26-27H,1H3,(H2,21,23)
InChIKeyMGAOOCQQIKEEJT-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide

1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide (PubChem CID 136652022) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide
PubChem CID136652022
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide
SMILESCn1nccc1-c1c(C(N)=NO)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C19H16FN5O2/c1-24-16(8-9-22-24)18-17(19(21)23-27)12-4-2-3-5-14(12)25(18)15-7-6-11(26)10-13(15)20/h2-10,26-27H,1H3,(H2,21,23)
InChIKeyMGAOOCQQIKEEJT-UHFFFAOYSA-N
XLogP2.97
TPSA101.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide?
The IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide (CID 136652022) is 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide.
What is the SMILES notation for 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide?
The canonical SMILES for 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide is Cn1nccc1-c1c(C(N)=NO)c2ccccc2n1-c1ccc(O)cc1F.
What is the InChIKey of 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide?
The InChIKey is MGAOOCQQIKEEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-24-16(8-9-22-24)18-17(19(21)23-27)12-4-2-3-5-14(12)25(18)15-7-6-11(26)10-13(15)20/h2-10,26-27H,1H3,(H2,21,23).
What are the key properties of 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide?
1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide has a molecular weight of 365.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrazol-3-yl)indole-3-carboximidamide is sourced from PubChem (CID 136652022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).