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

C13H16FN3 — CID 60927610

IUPAC1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccnn1C)c1ccccc1F
InChIInChI=1S/C13H16FN3/c1-10(12-5-3-4-6-13(12)14)15-9-11-7-8-16-17(11)2/h3-8,10,15H,9H2,1-2H3
InChIKeyPZPSQEACVMVISR-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.41
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 60927610) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID60927610
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccnn1C)c1ccccc1F
InChIInChI=1S/C13H16FN3/c1-10(12-5-3-4-6-13(12)14)15-9-11-7-8-16-17(11)2/h3-8,10,15H,9H2,1-2H3
InChIKeyPZPSQEACVMVISR-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 107715132
1-(2-chloro-4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63301995
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
(1S)-1-[2-(difluoromethoxy)-4-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 97229990
(1R)-1-[2-(difluoromethoxy)-4-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 97229991
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 60927610) is 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CC(NCc1ccnn1C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is PZPSQEACVMVISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(12-5-3-4-6-13(12)14)15-9-11-7-8-16-17(11)2/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 60927610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).