3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide

C17H16FN3O2 — CID 20789056

IUPAC3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
SMILESO=C(NCCCO)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H16FN3O2/c18-13-5-2-11(3-6-13)16-14-10-12(4-7-15(14)20-21-16)17(23)19-8-1-9-22/h2-7,10,22H,1,8-9H2,(H,19,23)(H,20,21)
InChIKeyMYRYMDVXTJVDRN-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.48
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide

3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide (PubChem CID 20789056) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
PubChem CID20789056
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
SMILESO=C(NCCCO)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H16FN3O2/c18-13-5-2-11(3-6-13)16-14-10-12(4-7-15(14)20-21-16)17(23)19-8-1-9-22/h2-7,10,22H,1,8-9H2,(H,19,23)(H,20,21)
InChIKeyMYRYMDVXTJVDRN-UHFFFAOYSA-N
XLogP2.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide (CID 20789056) is 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide is O=C(NCCCO)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide?
The InChIKey is MYRYMDVXTJVDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-13-5-2-11(3-6-13)16-14-10-12(4-7-15(14)20-21-16)17(23)19-8-1-9-22/h2-7,10,22H,1,8-9H2,(H,19,23)(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide?
3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).