1-(4-chloro-2-fluorophenyl)pyrazol-3-amine

C9H7ClFN3 — CID 58026102

IUPAC1-(4-chloro-2-fluorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C9H7ClFN3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyIONYLZASGBFRFK-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.25
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine

1-(4-chloro-2-fluorophenyl)pyrazol-3-amine (PubChem CID 58026102) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)pyrazol-3-amine
PubChem CID58026102
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name1-(4-chloro-2-fluorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C9H7ClFN3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyIONYLZASGBFRFK-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine (CID 58026102) is 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine is Nc1ccn(-c2ccc(Cl)cc2F)n1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine?
The InChIKey is IONYLZASGBFRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine?
1-(4-chloro-2-fluorophenyl)pyrazol-3-amine has a molecular weight of 211.63 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 58026102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).