N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine

C14H16FN3 — CID 63962452

IUPACN-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
SMILESCn1nccc1-c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C14H16FN3/c1-18-14(6-7-17-18)10-2-5-13(15)11(8-10)9-16-12-3-4-12/h2,5-8,12,16H,3-4,9H2,1H3
InChIKeyNKEAOLLWGHLNQE-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.48
Rot. Bonds4

About N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63962452) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
PubChem CID63962452
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
SMILESCn1nccc1-c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C14H16FN3/c1-18-14(6-7-17-18)10-2-5-13(15)11(8-10)9-16-12-3-4-12/h2,5-8,12,16H,3-4,9H2,1H3
InChIKeyNKEAOLLWGHLNQE-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668
N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 66099317
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975818
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 68749600
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine (CID 63962452) is N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine is Cn1nccc1-c1ccc(F)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is NKEAOLLWGHLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18-14(6-7-17-18)10-2-5-13(15)11(8-10)9-16-12-3-4-12/h2,5-8,12,16H,3-4,9H2,1H3.
What are the key properties of N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 245.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63962452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).