N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine

C15H18FN3 — CID 62487619

IUPACN-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C15H18FN3/c1-2-17-10-12-9-13(16)5-6-15(12)19-8-7-14(18-19)11-3-4-11/h5-9,11,17H,2-4,10H2,1H3
InChIKeyOICYAEJJWRCECL-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.00
Rot. Bonds5

About N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine

N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 62487619) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
PubChem CID62487619
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C15H18FN3/c1-2-17-10-12-9-13(16)5-6-15(12)19-8-7-14(18-19)11-3-4-11/h5-9,11,17H,2-4,10H2,1H3
InChIKeyOICYAEJJWRCECL-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone
CID 62488982
N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106533150
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 62488135
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62489506
N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074740
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]ethanamine
CID 79771902
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 61347111
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
CID 61445256
N-[[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62332170

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine (CID 62487619) is N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is OICYAEJJWRCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-17-10-12-9-13(16)5-6-15(12)19-8-7-14(18-19)11-3-4-11/h5-9,11,17H,2-4,10H2,1H3.
What are the key properties of N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 259.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 62487619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).