N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

C17H24FN3 — CID 63976817

IUPACN-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1ccnn1CCC
InChIInChI=1S/C17H24FN3/c1-4-9-19-17(15-12-14(18)7-6-13(15)3)16-8-10-20-21(16)11-5-2/h6-8,10,12,17,19H,4-5,9,11H2,1-3H3
InChIKeyHHEUBAVNEYAOMO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.83
Rot. Bonds7

About N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 63976817) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID63976817
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1ccnn1CCC
InChIInChI=1S/C17H24FN3/c1-4-9-19-17(15-12-14(18)7-6-13(15)3)16-8-10-20-21(16)11-5-2/h6-8,10,12,17,19H,4-5,9,11H2,1-3H3
InChIKeyHHEUBAVNEYAOMO-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine 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

N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 102803708
N-[(2,5-dimethylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 105148161
N-[(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107968268
N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857441
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106462267

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 63976817) is N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1C)c1ccnn1CCC.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is HHEUBAVNEYAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-9-19-17(15-12-14(18)7-6-13(15)3)16-8-10-20-21(16)11-5-2/h6-8,10,12,17,19H,4-5,9,11H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63976817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).