4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole

C7H6ClF3N2 — CID 169477274

IUPAC4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1C=CCCl
InChIInChI=1S/C7H6ClF3N2/c8-3-1-2-5-4-12-13-6(5)7(9,10)11/h1-2,4H,3H2,(H,12,13)
InChIKeyPMIVETJLJBBVPF-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.68
Rot. Bonds2

About 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole

4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 169477274) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID169477274
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1C=CCCl
InChIInChI=1S/C7H6ClF3N2/c8-3-1-2-5-4-12-13-6(5)7(9,10)11/h1-2,4H,3H2,(H,12,13)
InChIKeyPMIVETJLJBBVPF-UHFFFAOYSA-N
XLogP2.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-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-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole (CID 169477274) is 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1C=CCCl.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PMIVETJLJBBVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-3-1-2-5-4-12-13-6(5)7(9,10)11/h1-2,4H,3H2,(H,12,13).
What are the key properties of 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 210.59 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 169477274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).