N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine

C15H18FN3 — CID 66099317

IUPACN-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
SMILESCc1c(-c2ccc(F)c(CNC3CC3)c2)cnn1C
InChIInChI=1S/C15H18FN3/c1-10-14(9-18-19(10)2)11-3-6-15(16)12(7-11)8-17-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3
InChIKeyZMHGFZQEPYEDDM-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.79
Rot. Bonds4

About N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine

N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine (PubChem CID 66099317) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
PubChem CID66099317
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
SMILESCc1c(-c2ccc(F)c(CNC3CC3)c2)cnn1C
InChIInChI=1S/C15H18FN3/c1-10-14(9-18-19(10)2)11-3-6-15(16)12(7-11)8-17-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3
InChIKeyZMHGFZQEPYEDDM-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 63962452
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66097006
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975818
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184308
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine (CID 66099317) is N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine is Cc1c(-c2ccc(F)c(CNC3CC3)c2)cnn1C.
What is the InChIKey of N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is ZMHGFZQEPYEDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-14(9-18-19(10)2)11-3-6-15(16)12(7-11)8-17-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3.
What are the key properties of N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine?
N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 259.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66099317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).