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

C10H9ClFN3 — CID 83892346

IUPAC4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine
SMILESCNc1c(Cl)cnn1-c1ccccc1F
InChIInChI=1S/C10H9ClFN3/c1-13-10-7(11)6-14-15(10)9-5-3-2-4-8(9)12/h2-6,13H,1H3
InChIKeyKNXPPDQZMBJUIS-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.71
Rot. Bonds2

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

4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine (PubChem CID 83892346) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine
PubChem CID83892346
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine
SMILESCNc1c(Cl)cnn1-c1ccccc1F
InChIInChI=1S/C10H9ClFN3/c1-13-10-7(11)6-14-15(10)9-5-3-2-4-8(9)12/h2-6,13H,1H3
InChIKeyKNXPPDQZMBJUIS-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine (CID 83892346) is 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine is CNc1c(Cl)cnn1-c1ccccc1F.
What is the InChIKey of 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine?
The InChIKey is KNXPPDQZMBJUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-13-10-7(11)6-14-15(10)9-5-3-2-4-8(9)12/h2-6,13H,1H3.
What are the key properties of 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine?
4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine has a molecular weight of 225.65 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine is sourced from PubChem (CID 83892346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).