3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide

C16H14FN3O2 — CID 69422016

IUPAC3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide
SMILESNC(=O)CC(O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H14FN3O2/c17-11-4-1-9(2-5-11)16-12-7-10(14(21)8-15(18)22)3-6-13(12)19-20-16/h1-7,14,21H,8H2,(H2,18,22)(H,19,20)
InChIKeySSOGYDOSPQHCFG-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.28
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide

3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide (PubChem CID 69422016) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide
PubChem CID69422016
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide
SMILESNC(=O)CC(O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H14FN3O2/c17-11-4-1-9(2-5-11)16-12-7-10(14(21)8-15(18)22)3-6-13(12)19-20-16/h1-7,14,21H,8H2,(H2,18,22)(H,19,20)
InChIKeySSOGYDOSPQHCFG-UHFFFAOYSA-N
XLogP2.28
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide (CID 69422016) is 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide is NC(=O)CC(O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide?
The InChIKey is SSOGYDOSPQHCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-11-4-1-9(2-5-11)16-12-7-10(14(21)8-15(18)22)3-6-13(12)19-20-16/h1-7,14,21H,8H2,(H2,18,22)(H,19,20).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide?
3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide has a molecular weight of 299.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide is sourced from PubChem (CID 69422016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).