3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine

C10H9ClFN3 — CID 83217060

IUPAC3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H9ClFN3/c1-15-5-9(13)10(14-15)6-2-3-8(12)7(11)4-6/h2-5H,13H2,1H3
InChIKeyYMSZFCWROJBRFQ-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.46
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine

3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine (PubChem CID 83217060) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
PubChem CID83217060
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H9ClFN3/c1-15-5-9(13)10(14-15)6-2-3-8(12)7(11)4-6/h2-5H,13H2,1H3
InChIKeyYMSZFCWROJBRFQ-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine (CID 83217060) is 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine is Cn1cc(N)c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine?
The InChIKey is YMSZFCWROJBRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-15-5-9(13)10(14-15)6-2-3-8(12)7(11)4-6/h2-5H,13H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine?
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine has a molecular weight of 225.65 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 83217060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).