4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine

C11H11ClFN3 — CID 43158533

IUPAC4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3/c1-6-9(11(14)16(2)15-6)10-7(12)4-3-5-8(10)13/h3-5H,14H2,1-2H3
InChIKeyAIZZVQVZTSSOHN-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.77
Rot. Bonds1

About 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine

4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 43158533) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID43158533
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3/c1-6-9(11(14)16(2)15-6)10-7(12)4-3-5-8(10)13/h3-5H,14H2,1-2H3
InChIKeyAIZZVQVZTSSOHN-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 43158533) is 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is AIZZVQVZTSSOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-6-9(11(14)16(2)15-6)10-7(12)4-3-5-8(10)13/h3-5H,14H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 239.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 43158533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).