2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

C12H11ClFN3 — CID 79149663

IUPAC2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Cl)c(F)c1)CCC2
InChIInChI=1S/C12H11ClFN3/c13-9-5-4-7(6-10(9)14)17-12(15)8-2-1-3-11(8)16-17/h4-6H,1-3,15H2
InChIKeyOKDATLBPWANMGY-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.74
Rot. Bonds1

About 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (PubChem CID 79149663) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
PubChem CID79149663
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Cl)c(F)c1)CCC2
InChIInChI=1S/C12H11ClFN3/c13-9-5-4-7(6-10(9)14)17-12(15)8-2-1-3-11(8)16-17/h4-6H,1-3,15H2
InChIKeyOKDATLBPWANMGY-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (CID 79149663) is 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is Nc1c2c(nn1-c1ccc(Cl)c(F)c1)CCC2.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is OKDATLBPWANMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-9-5-4-7(6-10(9)14)17-12(15)8-2-1-3-11(8)16-17/h4-6H,1-3,15H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 251.69 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 79149663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).