5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine

C9H7ClFN3 — CID 81265191

IUPAC5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(Cl)c2F)[nH]n1
InChIInChI=1S/C9H7ClFN3/c10-6-3-1-2-5(9(6)11)7-4-8(12)14-13-7/h1-4H,(H3,12,13,14)
InChIKeyCQGQKJXUJUAIHH-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.45
Rot. Bonds1

About 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine

5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 81265191) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID81265191
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(Cl)c2F)[nH]n1
InChIInChI=1S/C9H7ClFN3/c10-6-3-1-2-5(9(6)11)7-4-8(12)14-13-7/h1-4H,(H3,12,13,14)
InChIKeyCQGQKJXUJUAIHH-UHFFFAOYSA-N
XLogP2.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine (CID 81265191) is 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2cccc(Cl)c2F)[nH]n1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is CQGQKJXUJUAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-6-3-1-2-5(9(6)11)7-4-8(12)14-13-7/h1-4H,(H3,12,13,14).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 211.63 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81265191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).