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

C13H16FN3O2 — CID 79779553

IUPAC1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2ccccc2F)cn1
InChIInChI=1S/C13H16FN3O2/c1-17-8-10(6-16-17)15-7-11(18)9-19-13-5-3-2-4-12(13)14/h2-6,8,11,15,18H,7,9H2,1H3
InChIKeyOXTIIFDWZMFIKC-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.41
Rot. Bonds6

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

1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 79779553) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
PubChem CID79779553
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2ccccc2F)cn1
InChIInChI=1S/C13H16FN3O2/c1-17-8-10(6-16-17)15-7-11(18)9-19-13-5-3-2-4-12(13)14/h2-6,8,11,15,18H,7,9H2,1H3
InChIKeyOXTIIFDWZMFIKC-UHFFFAOYSA-N
XLogP1.41
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.41
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-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940
1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 167794124
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (CID 79779553) is 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is Cn1cc(NCC(O)COc2ccccc2F)cn1.
What is the InChIKey of 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is OXTIIFDWZMFIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-17-8-10(6-16-17)15-7-11(18)9-19-13-5-3-2-4-12(13)14/h2-6,8,11,15,18H,7,9H2,1H3.
What are the key properties of 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol has a molecular weight of 265.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 79779553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).