N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine

C16H20FN3O — CID 106533506

IUPACN-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1Oc1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C16H20FN3O/c1-10-16(11(2)20(3)19-10)21-15-7-12(6-13(17)8-15)9-18-14-4-5-14/h6-8,14,18H,4-5,9H2,1-3H3
InChIKeyFGDHKJIUQUNOMZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.22
Rot. Bonds5

About N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine (PubChem CID 106533506) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
PubChem CID106533506
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1Oc1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C16H20FN3O/c1-10-16(11(2)20(3)19-10)21-15-7-12(6-13(17)8-15)9-18-14-4-5-14/h6-8,14,18H,4-5,9H2,1-3H3
InChIKeyFGDHKJIUQUNOMZ-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076994

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine (CID 106533506) is N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine is Cc1nn(C)c(C)c1Oc1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The InChIKey is FGDHKJIUQUNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-16(11(2)20(3)19-10)21-15-7-12(6-13(17)8-15)9-18-14-4-5-14/h6-8,14,18H,4-5,9H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine has a molecular weight of 289.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).