N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine

C14H16F3N3 — CID 115858376

IUPACN-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1F)c1ccnn1C
InChIInChI=1S/C14H16F3N3/c1-3-7-18-14(11-6-8-19-20(11)2)9-4-5-10(15)13(17)12(9)16/h4-6,8,14,18H,3,7H2,1-2H3
InChIKeyWHFPOMICKVNNPX-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.93
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine

N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine (PubChem CID 115858376) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
PubChem CID115858376
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1F)c1ccnn1C
InChIInChI=1S/C14H16F3N3/c1-3-7-18-14(11-6-8-19-20(11)2)9-4-5-10(15)13(17)12(9)16/h4-6,8,14,18H,3,7H2,1-2H3
InChIKeyWHFPOMICKVNNPX-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858738
N-[(2-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858593
N-[(2-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 107993253
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(4-chloro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858611
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[pyridin-4-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62963949
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-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79713103
N-[(3,6-dimethylpyridazin-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148759

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine (CID 115858376) is N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1F)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is WHFPOMICKVNNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-7-18-14(11-6-8-19-20(11)2)9-4-5-10(15)13(17)12(9)16/h4-6,8,14,18H,3,7H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 283.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115858376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).