[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine

C13H16FN3 — CID 79487514

IUPAC[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1[nH]ncc1CN
InChIInChI=1S/C13H16FN3/c1-13(2,10-3-5-11(14)6-4-10)12-9(7-15)8-16-17-12/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeyWYUGCYYRRQVBQI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.33
Rot. Bonds3

About [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine

[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine (PubChem CID 79487514) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine
PubChem CID79487514
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1[nH]ncc1CN
InChIInChI=1S/C13H16FN3/c1-13(2,10-3-5-11(14)6-4-10)12-9(7-15)8-16-17-12/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeyWYUGCYYRRQVBQI-UHFFFAOYSA-N
XLogP2.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
CID 155973658
[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine
CID 64770528
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
oxalic acid;[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 118993591
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759373
[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine
CID 64769167
2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 64767992
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
2-(aminomethyl)-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015204
1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea
CID 79504585
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine (CID 79487514) is [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine is CC(C)(c1ccc(F)cc1)c1[nH]ncc1CN.
What is the InChIKey of [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine?
The InChIKey is WYUGCYYRRQVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-13(2,10-3-5-11(14)6-4-10)12-9(7-15)8-16-17-12/h3-6,8H,7,15H2,1-2H3,(H,16,17).
What are the key properties of [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine?
[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).