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

C4H3ClF2N2 — CID 59403642

IUPAC5-[chloro(difluoro)methyl]-1H-pyrazole
SMILESFC(F)(Cl)c1ccn[nH]1
InChIInChI=1S/C4H3ClF2N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChIKeyUYONVNILTRSPEC-UHFFFAOYSA-N
MW152.53 g/mol
LogP1.70
Rot. Bonds1

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

5-[chloro(difluoro)methyl]-1H-pyrazole (PubChem CID 59403642) has the molecular formula C4H3ClF2N2 and a molecular weight of 152.53 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-1H-pyrazole
PubChem CID59403642
Molecular FormulaC4H3ClF2N2
Molecular Weight152.53 g/mol
Exact Mass152.00
IUPAC Name5-[chloro(difluoro)methyl]-1H-pyrazole
SMILESFC(F)(Cl)c1ccn[nH]1
InChIInChI=1S/C4H3ClF2N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChIKeyUYONVNILTRSPEC-UHFFFAOYSA-N
XLogP1.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 51.70
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

5-(trifluoromethyl)-1H-pyrazole;hydrochloride
CID 142631997
5-[bromo(difluoro)methyl]-1H-pyrazole
CID 125448985
5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole
CID 10089388
copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
CID 139058362
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide
CID 175607035
telluroxodihydrodiazole
CID 139263061
1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole
CID 157068873
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
2,2,2-trifluoro-1-(1H-pyrazol-5-yl)ethanethione
CID 141015818
5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 54057584
5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole
CID 118418307

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-1H-pyrazole?
The IUPAC name of 5-[chloro(difluoro)methyl]-1H-pyrazole (CID 59403642) is 5-[chloro(difluoro)methyl]-1H-pyrazole.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-1H-pyrazole?
The canonical SMILES for 5-[chloro(difluoro)methyl]-1H-pyrazole is FC(F)(Cl)c1ccn[nH]1.
What is the InChIKey of 5-[chloro(difluoro)methyl]-1H-pyrazole?
The InChIKey is UYONVNILTRSPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9).
What are the key properties of 5-[chloro(difluoro)methyl]-1H-pyrazole?
5-[chloro(difluoro)methyl]-1H-pyrazole has a molecular weight of 152.53 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-1H-pyrazole is sourced from PubChem (CID 59403642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).