1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine

C11H12FN3 — CID 102942463

IUPAC1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine
SMILESCc1ccc(F)c(-n2cc(C)c(N)n2)c1
InChIInChI=1S/C11H12FN3/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14-15/h3-6H,1-2H3,(H2,13,14)
InChIKeyFVJUNYVQUITGNX-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.21
Rot. Bonds1

About 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine

1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine (PubChem CID 102942463) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine
PubChem CID102942463
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine
SMILESCc1ccc(F)c(-n2cc(C)c(N)n2)c1
InChIInChI=1S/C11H12FN3/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14-15/h3-6H,1-2H3,(H2,13,14)
InChIKeyFVJUNYVQUITGNX-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 107627899
4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
CID 79194411
1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
CID 170911525
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(2-ethylphenyl)-4-methylpyrazol-3-amine
CID 102942323
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943044
4-methyl-1-(5-methyl-3-pyridinyl)pyrazol-3-amine
CID 115375127
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine
CID 83203131
1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine
CID 107581343
4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide
CID 82801569

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine (CID 102942463) is 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine is Cc1ccc(F)c(-n2cc(C)c(N)n2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine?
The InChIKey is FVJUNYVQUITGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14-15/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine?
1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 102942463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).