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

C11H11Cl2N3 — CID 118100595

IUPAC5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cc(N)n[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3/c1-6(9-5-10(14)16-15-9)7-3-2-4-8(12)11(7)13/h2-6H,1H3,(H3,14,15,16)
InChIKeySZUCRBPLFMEMQY-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.45
Rot. Bonds2

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

5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 118100595) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine
PubChem CID118100595
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cc(N)n[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3/c1-6(9-5-10(14)16-15-9)7-3-2-4-8(12)11(7)13/h2-6H,1H3,(H3,14,15,16)
InChIKeySZUCRBPLFMEMQY-UHFFFAOYSA-N
XLogP3.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine (CID 118100595) is 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine is CC(c1cc(N)n[nH]1)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is SZUCRBPLFMEMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-6(9-5-10(14)16-15-9)7-3-2-4-8(12)11(7)13/h2-6H,1H3,(H3,14,15,16).
What are the key properties of 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine?
5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 256.14 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dichlorophenyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118100595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).