5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine

C11H12ClN3 — CID 63050054

IUPAC5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2cccc(Cl)c2)[nH]n1
InChIInChI=1S/C11H12ClN3/c1-2-13-11-7-10(14-15-11)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeyREKQFBAOXOWJCG-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.16
Rot. Bonds3

About 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine

5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine (PubChem CID 63050054) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
PubChem CID63050054
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2cccc(Cl)c2)[nH]n1
InChIInChI=1S/C11H12ClN3/c1-2-13-11-7-10(14-15-11)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeyREKQFBAOXOWJCG-UHFFFAOYSA-N
XLogP3.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine (CID 63050054) is 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine is CCNc1cc(-c2cccc(Cl)c2)[nH]n1.
What is the InChIKey of 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
The InChIKey is REKQFBAOXOWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-2-13-11-7-10(14-15-11)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H2,13,14,15).
What are the key properties of 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine has a molecular weight of 221.69 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63050054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).