4-chloro-1-(difluoromethyl)-5-methoxypyrazole

C5H5ClF2N2O — CID 167200735

IUPAC4-chloro-1-(difluoromethyl)-5-methoxypyrazole
SMILESCOc1c(Cl)cnn1C(F)F
InChIInChI=1S/C5H5ClF2N2O/c1-11-4-3(6)2-9-10(4)5(7)8/h2,5H,1H3
InChIKeyWBAZPGNWWJXQDJ-UHFFFAOYSA-N
MW182.56 g/mol
LogP1.94
Rot. Bonds2

About 4-chloro-1-(difluoromethyl)-5-methoxypyrazole

4-chloro-1-(difluoromethyl)-5-methoxypyrazole (PubChem CID 167200735) has the molecular formula C5H5ClF2N2O and a molecular weight of 182.56 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-5-methoxypyrazole.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-5-methoxypyrazole
PubChem CID167200735
Molecular FormulaC5H5ClF2N2O
Molecular Weight182.56 g/mol
Exact Mass182.01
IUPAC Name4-chloro-1-(difluoromethyl)-5-methoxypyrazole
SMILESCOc1c(Cl)cnn1C(F)F
InChIInChI=1S/C5H5ClF2N2O/c1-11-4-3(6)2-9-10(4)5(7)8/h2,5H,1H3
InChIKeyWBAZPGNWWJXQDJ-UHFFFAOYSA-N
XLogP1.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-5-methoxypyrazole?
The IUPAC name of 4-chloro-1-(difluoromethyl)-5-methoxypyrazole (CID 167200735) is 4-chloro-1-(difluoromethyl)-5-methoxypyrazole.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-5-methoxypyrazole?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-5-methoxypyrazole is COc1c(Cl)cnn1C(F)F.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-5-methoxypyrazole?
The InChIKey is WBAZPGNWWJXQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2O/c1-11-4-3(6)2-9-10(4)5(7)8/h2,5H,1H3.
What are the key properties of 4-chloro-1-(difluoromethyl)-5-methoxypyrazole?
4-chloro-1-(difluoromethyl)-5-methoxypyrazole has a molecular weight of 182.56 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-5-methoxypyrazole is sourced from PubChem (CID 167200735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).