4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine

C10H9ClFN3 — CID 63038462

IUPAC4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C10H9ClFN3/c1-15-10(13)8(5-14-15)7-3-2-6(12)4-9(7)11/h2-5H,13H2,1H3
InChIKeyAFENNFPGSNUYKI-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.46
Rot. Bonds1

About 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine

4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 63038462) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID63038462
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C10H9ClFN3/c1-15-10(13)8(5-14-15)7-3-2-6(12)4-9(7)11/h2-5H,13H2,1H3
InChIKeyAFENNFPGSNUYKI-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 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine (CID 63038462) is 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(F)cc2Cl)c1N.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is AFENNFPGSNUYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-15-10(13)8(5-14-15)7-3-2-6(12)4-9(7)11/h2-5H,13H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-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 4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 63038462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).