4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole

C5H5ClF2N2 — CID 123269512

IUPAC4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole
SMILESFC(F)Cc1[nH]ncc1Cl
InChIInChI=1S/C5H5ClF2N2/c6-3-2-9-10-4(3)1-5(7)8/h2,5H,1H2,(H,9,10)
InChIKeyJCCZJOGKWCCVNM-UHFFFAOYSA-N
MW166.56 g/mol
LogP1.87
Rot. Bonds2

About 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole

4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole (PubChem CID 123269512) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole
PubChem CID123269512
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole
SMILESFC(F)Cc1[nH]ncc1Cl
InChIInChI=1S/C5H5ClF2N2/c6-3-2-9-10-4(3)1-5(7)8/h2,5H,1H2,(H,9,10)
InChIKeyJCCZJOGKWCCVNM-UHFFFAOYSA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole (CID 123269512) is 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole is FC(F)Cc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole?
The InChIKey is JCCZJOGKWCCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c6-3-2-9-10-4(3)1-5(7)8/h2,5H,1H2,(H,9,10).
What are the key properties of 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole?
4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole has a molecular weight of 166.56 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole is sourced from PubChem (CID 123269512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).