4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol

C16H16FN3O — CID 174463752

IUPAC4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
SMILESCC(N)Cc1[nH]nc2cc(F)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C16H16FN3O/c1-9(18)6-15-13-7-12(10-2-4-11(21)5-3-10)14(17)8-16(13)20-19-15/h2-5,7-9,21H,6,18H2,1H3,(H,19,20)
InChIKeyHQSSCVLWSCVCRT-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.96
Rot. Bonds3

About 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol

4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol (PubChem CID 174463752) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
PubChem CID174463752
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
SMILESCC(N)Cc1[nH]nc2cc(F)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C16H16FN3O/c1-9(18)6-15-13-7-12(10-2-4-11(21)5-3-10)14(17)8-16(13)20-19-15/h2-5,7-9,21H,6,18H2,1H3,(H,19,20)
InChIKeyHQSSCVLWSCVCRT-UHFFFAOYSA-N
XLogP2.96
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
CID 174463754
1-(6-fluoro-2H-indazol-3-yl)propan-2-amine
CID 83907519
4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
CID 105423241
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
3-(2-methylpropyl)-2H-indazol-6-ol
CID 136693478
1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide
CID 136649473
3-(3-methylbutyl)-2H-indazol-6-ol
CID 136619287
3-ethyl-5,6-difluoro-2H-indazole
CID 123307421
4-[3-amino-6-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 135848029
(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
CID 70287691
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
The IUPAC name of 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol (CID 174463752) is 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
The canonical SMILES for 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol is CC(N)Cc1[nH]nc2cc(F)c(-c3ccc(O)cc3)cc12.
What is the InChIKey of 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
The InChIKey is HQSSCVLWSCVCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9(18)6-15-13-7-12(10-2-4-11(21)5-3-10)14(17)8-16(13)20-19-15/h2-5,7-9,21H,6,18H2,1H3,(H,19,20).
What are the key properties of 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol has a molecular weight of 285.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol is sourced from PubChem (CID 174463752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).