N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

C13H16FN3 — CID 43435020

IUPACN-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-11(10-17-8-2-7-16-17)15-9-12-3-5-13(14)6-4-12/h2-8,11,15H,9-10H2,1H3
InChIKeyFCMBMYNTLXGLSL-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.20
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43435020) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43435020
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-11(10-17-8-2-7-16-17)15-9-12-3-5-13(14)6-4-12/h2-8,11,15H,9-10H2,1H3
InChIKeyFCMBMYNTLXGLSL-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95276598
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43435020) is N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is FCMBMYNTLXGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-11(10-17-8-2-7-16-17)15-9-12-3-5-13(14)6-4-12/h2-8,11,15H,9-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).