3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole

C5H5ClF2N2 — CID 1472103

IUPAC3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole
SMILESCc1cc(C(F)(F)Cl)n[nH]1
InChIInChI=1S/C5H5ClF2N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyJYDBRBWYIQJDSJ-UHFFFAOYSA-N
MW166.56 g/mol
LogP2.01
Rot. Bonds1

About 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole

3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole (PubChem CID 1472103) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole
PubChem CID1472103
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole
SMILESCc1cc(C(F)(F)Cl)n[nH]1
InChIInChI=1S/C5H5ClF2N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyJYDBRBWYIQJDSJ-UHFFFAOYSA-N
XLogP2.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 1206965
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
3-(bromomethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 12462055
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179
3-(Perfluoropentyl)-5-methylpyrazole
CID 2776343
3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 2782520
5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23006209
3-chloro-5-ethyl-1H-pyrazole
CID 66020536

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole?
The IUPAC name of 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole (CID 1472103) is 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole is Cc1cc(C(F)(F)Cl)n[nH]1.
What is the InChIKey of 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole?
The InChIKey is JYDBRBWYIQJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole?
3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole has a molecular weight of 166.56 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 1472103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).