5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine

C11H12FN3 — CID 82470102

IUPAC5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
SMILESCc1cc(-c2cc(N)nn2C)ccc1F
InChIInChI=1S/C11H12FN3/c1-7-5-8(3-4-9(7)12)10-6-11(13)14-15(10)2/h3-6H,1-2H3,(H2,13,14)
InChIKeyITSZUFNBKYGBAI-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.12
Rot. Bonds1

About 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine

5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine (PubChem CID 82470102) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
PubChem CID82470102
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
SMILESCc1cc(-c2cc(N)nn2C)ccc1F
InChIInChI=1S/C11H12FN3/c1-7-5-8(3-4-9(7)12)10-6-11(13)14-15(10)2/h3-6H,1-2H3,(H2,13,14)
InChIKeyITSZUFNBKYGBAI-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82474889
5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
CID 155276309
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
4-(4-fluoro-3-methylphenyl)imidazole-1,2-diamine
CID 82283259
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110299626
1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine
CID 98022597
5-fluoro-1-methylpyrazol-3-amine
CID 130658396
3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 63210180
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine (CID 82470102) is 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine is Cc1cc(-c2cc(N)nn2C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine?
The InChIKey is ITSZUFNBKYGBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-5-8(3-4-9(7)12)10-6-11(13)14-15(10)2/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine?
5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 82470102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).