2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid

C17H16FN3O2 — CID 90386741

IUPAC2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccc2cn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C17H16FN3O2/c1-17(2,19-16(22)23)12-4-3-11-10-21(20-15(11)9-12)14-7-5-13(18)6-8-14/h3-10,19H,1-2H3,(H,22,23)
InChIKeyVJDVPAXIQNZBGR-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.67
Rot. Bonds3

About 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid

2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid (PubChem CID 90386741) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid
PubChem CID90386741
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccc2cn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C17H16FN3O2/c1-17(2,19-16(22)23)12-4-3-11-10-21(20-15(11)9-12)14-7-5-13(18)6-8-14/h3-10,19H,1-2H3,(H,22,23)
InChIKeyVJDVPAXIQNZBGR-UHFFFAOYSA-N
XLogP3.67
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid (CID 90386741) is 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1ccc2cn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid?
The InChIKey is VJDVPAXIQNZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-17(2,19-16(22)23)12-4-3-11-10-21(20-15(11)9-12)14-7-5-13(18)6-8-14/h3-10,19H,1-2H3,(H,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid?
2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid has a molecular weight of 313.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)indazol-6-yl]propan-2-ylcarbamic acid is sourced from PubChem (CID 90386741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).