2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione

C10H7ClF2N2S — CID 62893133

IUPAC2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
SMILESFC(F)c1cc(=S)n(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C10H7ClF2N2S/c11-6-3-1-2-4-8(6)15-9(16)5-7(14-15)10(12)13/h1-5,10,14H
InChIKeySUSKFEWOIAWNIQ-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.13
Rot. Bonds2

About 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione

2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione (PubChem CID 62893133) has the molecular formula C10H7ClF2N2S and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
PubChem CID62893133
Molecular FormulaC10H7ClF2N2S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
SMILESFC(F)c1cc(=S)n(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C10H7ClF2N2S/c11-6-3-1-2-4-8(6)15-9(16)5-7(14-15)10(12)13/h1-5,10,14H
InChIKeySUSKFEWOIAWNIQ-UHFFFAOYSA-N
XLogP4.13
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
The IUPAC name of 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione (CID 62893133) is 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
The canonical SMILES for 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione is FC(F)c1cc(=S)n(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
The InChIKey is SUSKFEWOIAWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2S/c11-6-3-1-2-4-8(6)15-9(16)5-7(14-15)10(12)13/h1-5,10,14H.
What are the key properties of 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione has a molecular weight of 260.70 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione is sourced from PubChem (CID 62893133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).