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

C11H10ClF2N3 — CID 67135135

IUPAC4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2N3/c1-5-9(11(15)17(2)16-5)10-7(12)3-6(13)4-8(10)14/h3-4H,15H2,1-2H3
InChIKeyJCWQSIKVFUIEQA-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.91
Rot. Bonds1

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

4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 67135135) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID67135135
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2N3/c1-5-9(11(15)17(2)16-5)10-7(12)3-6(13)4-8(10)14/h3-4H,15H2,1-2H3
InChIKeyJCWQSIKVFUIEQA-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 67135135) is 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1-c1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is JCWQSIKVFUIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c1-5-9(11(15)17(2)16-5)10-7(12)3-6(13)4-8(10)14/h3-4H,15H2,1-2H3.
What are the key properties of 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 257.67 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 67135135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).