1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine

C11H12ClN3 — CID 83536334

IUPAC1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)5-6-15-8-11(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeySBCRNEVYZGNKMG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine

1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine (PubChem CID 83536334) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
PubChem CID83536334
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)5-6-15-8-11(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeySBCRNEVYZGNKMG-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine (CID 83536334) is 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine is Nc1cnn(CCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine?
The InChIKey is SBCRNEVYZGNKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)5-6-15-8-11(13)7-14-15/h1-4,7-8H,5-6,13H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine?
1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 83536334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).