N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine

C15H20FN3 — CID 114871791

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cn(C)nc1C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-4-15(12-6-5-7-14(16)8-12)17-9-13-10-19(3)18-11(13)2/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyKJRXYGORLGBMKA-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.11
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871791) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871791
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cn(C)nc1C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-4-15(12-6-5-7-14(16)8-12)17-9-13-10-19(3)18-11(13)2/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyKJRXYGORLGBMKA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647
1-(3-bromophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115888652
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 83088565
1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 102612940
1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871791) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine is CCC(NCc1cn(C)nc1C)c1cccc(F)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is KJRXYGORLGBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-15(12-6-5-7-14(16)8-12)17-9-13-10-19(3)18-11(13)2/h5-8,10,15,17H,4,9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).