1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol

C13H15BrFN3O2 — CID 167794124

IUPAC1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C13H15BrFN3O2/c1-18-7-11(5-17-18)16-6-12(19)8-20-13-3-9(14)2-10(15)4-13/h2-5,7,12,16,19H,6,8H2,1H3
InChIKeyFXLPOGGZGFJWNW-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.17
Rot. Bonds6

About 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol

1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 167794124) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
PubChem CID167794124
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C13H15BrFN3O2/c1-18-7-11(5-17-18)16-6-12(19)8-20-13-3-9(14)2-10(15)4-13/h2-5,7,12,16,19H,6,8H2,1H3
InChIKeyFXLPOGGZGFJWNW-UHFFFAOYSA-N
XLogP2.17
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79770932
1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779553
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 75432775
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
1-(4-bromophenoxy)-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80683818
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (CID 167794124) is 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is Cn1cc(NCC(O)COc2cc(F)cc(Br)c2)cn1.
What is the InChIKey of 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is FXLPOGGZGFJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c1-18-7-11(5-17-18)16-6-12(19)8-20-13-3-9(14)2-10(15)4-13/h2-5,7,12,16,19H,6,8H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol has a molecular weight of 344.18 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 167794124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).