N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine

C13H16FN3 — CID 115729372

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine
SMILESCC(Cc1cccc(F)c1)Nc1ccn(C)n1
InChIInChI=1S/C13H16FN3/c1-10(15-13-6-7-17(2)16-13)8-11-4-3-5-12(14)9-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyGJIHNRYBEMNYFV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine

N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine (PubChem CID 115729372) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine
PubChem CID115729372
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine
SMILESCC(Cc1cccc(F)c1)Nc1ccn(C)n1
InChIInChI=1S/C13H16FN3/c1-10(15-13-6-7-17(2)16-13)8-11-4-3-5-12(14)9-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyGJIHNRYBEMNYFV-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]pyrido[2,3-b]pyrazin-6-amine
CID 133307120
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methylpyrazol-3-amine
CID 93329707
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
N-[1-(3-fluorophenyl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 115916645
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine (CID 115729372) is N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine is CC(Cc1cccc(F)c1)Nc1ccn(C)n1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine?
The InChIKey is GJIHNRYBEMNYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(15-13-6-7-17(2)16-13)8-11-4-3-5-12(14)9-11/h3-7,9-10H,8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine has a molecular weight of 233.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 115729372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).