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

C15H20FN3 — CID 115858738

IUPACN-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1F)c1ccnn1C
InChIInChI=1S/C15H20FN3/c1-4-9-17-15(13-8-10-18-19(13)3)12-7-5-6-11(2)14(12)16/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyBVAVTVSDMZXQOD-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.96
Rot. Bonds5

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

N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 115858738) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID115858738
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1F)c1ccnn1C
InChIInChI=1S/C15H20FN3/c1-4-9-17-15(13-8-10-18-19(13)3)12-7-5-6-11(2)14(12)16/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyBVAVTVSDMZXQOD-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 115858376
N-[(2-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858593
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(3,6-dimethylpyridazin-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148759
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857639
N-[(2-bromo-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858461
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 115858738) is N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1F)c1ccnn1C.
What is the InChIKey of N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is BVAVTVSDMZXQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-9-17-15(13-8-10-18-19(13)3)12-7-5-6-11(2)14(12)16/h5-8,10,15,17H,4,9H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115858738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).