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

C11H11ClFN3 — CID 82875760

IUPAC3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2ccc(F)c(Cl)c2)nn(C)c1N
InChIInChI=1S/C11H11ClFN3/c1-6-10(15-16(2)11(6)14)7-3-4-9(13)8(12)5-7/h3-5H,14H2,1-2H3
InChIKeySGHATEFBCZLHQT-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.77
Rot. Bonds1

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

3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 82875760) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID82875760
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2ccc(F)c(Cl)c2)nn(C)c1N
InChIInChI=1S/C11H11ClFN3/c1-6-10(15-16(2)11(6)14)7-3-4-9(13)8(12)5-7/h3-5H,14H2,1-2H3
InChIKeySGHATEFBCZLHQT-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 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine (CID 82875760) is 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine is Cc1c(-c2ccc(F)c(Cl)c2)nn(C)c1N.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is SGHATEFBCZLHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-6-10(15-16(2)11(6)14)7-3-4-9(13)8(12)5-7/h3-5H,14H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine?
3-(3-chloro-4-fluorophenyl)-1,4-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 3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 82875760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).