3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine

C11H11Cl2N3 — CID 43158813

IUPAC3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2cc(Cl)ccc2Cl)nn(C)c1N
InChIInChI=1S/C11H11Cl2N3/c1-6-10(15-16(2)11(6)14)8-5-7(12)3-4-9(8)13/h3-5H,14H2,1-2H3
InChIKeyXQEOXQMZJZRRED-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.28
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine

3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 43158813) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID43158813
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2cc(Cl)ccc2Cl)nn(C)c1N
InChIInChI=1S/C11H11Cl2N3/c1-6-10(15-16(2)11(6)14)8-5-7(12)3-4-9(8)13/h3-5H,14H2,1-2H3
InChIKeyXQEOXQMZJZRRED-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine (CID 43158813) is 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine is Cc1c(-c2cc(Cl)ccc2Cl)nn(C)c1N.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is XQEOXQMZJZRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-6-10(15-16(2)11(6)14)8-5-7(12)3-4-9(8)13/h3-5H,14H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine?
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 256.14 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 43158813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).