3-(difluoromethyl)-5-fluoro-1-methylpyrazole

C5H5F3N2 — CID 76529724

IUPAC3-(difluoromethyl)-5-fluoro-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1F
InChIInChI=1S/C5H5F3N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3
InChIKeySMBRZGKZYPMSGQ-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.50
Rot. Bonds1

About 3-(difluoromethyl)-5-fluoro-1-methylpyrazole

3-(difluoromethyl)-5-fluoro-1-methylpyrazole (PubChem CID 76529724) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-1-methylpyrazole
PubChem CID76529724
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name3-(difluoromethyl)-5-fluoro-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1F
InChIInChI=1S/C5H5F3N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3
InChIKeySMBRZGKZYPMSGQ-UHFFFAOYSA-N
XLogP1.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-1-methylpyrazole?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-1-methylpyrazole (CID 76529724) is 3-(difluoromethyl)-5-fluoro-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-1-methylpyrazole is Cn1nc(C(F)F)cc1F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-1-methylpyrazole?
The InChIKey is SMBRZGKZYPMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3.
What are the key properties of 3-(difluoromethyl)-5-fluoro-1-methylpyrazole?
3-(difluoromethyl)-5-fluoro-1-methylpyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-1-methylpyrazole is sourced from PubChem (CID 76529724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).