N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine

C16H20FN3O — CID 106533566

IUPACN-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
SMILESCC(C)n1cc(Oc2cc(F)cc(CNC3CC3)c2)cn1
InChIInChI=1S/C16H20FN3O/c1-11(2)20-10-16(9-19-20)21-15-6-12(5-13(17)7-15)8-18-14-3-4-14/h5-7,9-11,14,18H,3-4,8H2,1-2H3
InChIKeyATHRMKIKJBIREL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.65
Rot. Bonds6

About N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine (PubChem CID 106533566) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
PubChem CID106533566
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
SMILESCC(C)n1cc(Oc2cc(F)cc(CNC3CC3)c2)cn1
InChIInChI=1S/C16H20FN3O/c1-11(2)20-10-16(9-19-20)21-15-6-12(5-13(17)7-15)8-18-14-3-4-14/h5-7,9-11,14,18H,3-4,8H2,1-2H3
InChIKeyATHRMKIKJBIREL-UHFFFAOYSA-N
XLogP3.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 116803040
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802340
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533506
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
[3-fluoro-5-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 106530236

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine (CID 106533566) is N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine is CC(C)n1cc(Oc2cc(F)cc(CNC3CC3)c2)cn1.
What is the InChIKey of N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The InChIKey is ATHRMKIKJBIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11(2)20-10-16(9-19-20)21-15-6-12(5-13(17)7-15)8-18-14-3-4-14/h5-7,9-11,14,18H,3-4,8H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine has a molecular weight of 289.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).