2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine

C11H11Cl2N3 — CID 16786152

IUPAC2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine
SMILESCC(c1cc(Cl)ccc1Cl)n1nccc1N
InChIInChI=1S/C11H11Cl2N3/c1-7(16-11(14)4-5-15-16)9-6-8(12)2-3-10(9)13/h2-7H,14H2,1H3
InChIKeyUNKGHVUVENUSRZ-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.38
Rot. Bonds2

About 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine

2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine (PubChem CID 16786152) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine
PubChem CID16786152
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine
SMILESCC(c1cc(Cl)ccc1Cl)n1nccc1N
InChIInChI=1S/C11H11Cl2N3/c1-7(16-11(14)4-5-15-16)9-6-8(12)2-3-10(9)13/h2-7H,14H2,1H3
InChIKeyUNKGHVUVENUSRZ-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine (CID 16786152) is 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine is CC(c1cc(Cl)ccc1Cl)n1nccc1N.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine?
The InChIKey is UNKGHVUVENUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7(16-11(14)4-5-15-16)9-6-8(12)2-3-10(9)13/h2-7H,14H2,1H3.
What are the key properties of 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine?
2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine has a molecular weight of 256.14 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 16786152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).