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

C5H5ClF2N2 — CID 66023399

IUPAC5-chloro-3-(difluoromethyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1Cl
InChIInChI=1S/C5H5ClF2N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3
InChIKeyLEUUCQCWCLNKMN-UHFFFAOYSA-N
MW166.56 g/mol
LogP2.01
Rot. Bonds1

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

5-chloro-3-(difluoromethyl)-1-methylpyrazole (PubChem CID 66023399) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methylpyrazole
PubChem CID66023399
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name5-chloro-3-(difluoromethyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1Cl
InChIInChI=1S/C5H5ClF2N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3
InChIKeyLEUUCQCWCLNKMN-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-methylpyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methylpyrazole (CID 66023399) is 5-chloro-3-(difluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methylpyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methylpyrazole is Cn1nc(C(F)F)cc1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methylpyrazole?
The InChIKey is LEUUCQCWCLNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methylpyrazole?
5-chloro-3-(difluoromethyl)-1-methylpyrazole has a molecular weight of 166.56 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 66023399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).