3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine

C11H12FN3 — CID 115092972

IUPAC3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(Cc2cccc(F)c2)cc1N
InChIInChI=1S/C11H12FN3/c1-15-11(13)7-10(14-15)6-8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3
InChIKeyDJNGAHQHZOHFAQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.73
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine

3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 115092972) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
PubChem CID115092972
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(Cc2cccc(F)c2)cc1N
InChIInChI=1S/C11H12FN3/c1-15-11(13)7-10(14-15)6-8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3
InChIKeyDJNGAHQHZOHFAQ-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594188
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117293427
2-(5-amino-3-benzylpyrazol-1-yl)ethanol
CID 82078985
1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
CID 82082768
3-benzyl-1,5-dimethylpyrazole
CID 13225476
2-[(3-fluorophenyl)methyl]aniline
CID 105453525

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine (CID 115092972) is 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine is Cn1nc(Cc2cccc(F)c2)cc1N.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is DJNGAHQHZOHFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(13)7-10(14-15)6-8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115092972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).